7-Methyl-2-[2-(4-methylpiperidyl)-2-oxoethylthio]-3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-4-one
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Basic information
- CAS
606106-61-0- Standard SMILES
CC1CCN(C(=O)CSc2nc(=O)c3c4c(sc3[nH]2)CC(C)CC4)CC1- InChIKey
OLHWLWSWNNSYFT-UHFFFAOYSA-N- Molecular formula
- C19H25N3O2S2
- Average molar mass
- 391.6 g/mol
- Monoisotopic mass
- 391.1388194
Names & identifiers
- Preferred name
- 7-Methyl-2-[2-(4-methylpiperidyl)-2-oxoethylthio]-3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-4-one
- IUPAC
- 7-methyl-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- Piperidine, 1-[[(1,4,5,6,7,8-hexahydro-7-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-4-methyl- (9CI)
- Molecular formula
- C19H25N3O2S2
- Molecular weight
- 391.55
Names & synonyms
AKOS000655753ASN 06152835DB-288797ST50279277606106-61-07-methyl-2-[2-(4-methylpiperidyl)-2-oxoethylthio]-3,5,6,7,8-pentahydrobenzo[b] thiopheno[2,3-d]pyrimidin-4-onePIPERIDINE, 1-[[(1,4,5,6,7,8-HEXAHYDRO-7-METHYL-4-OXO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)THIO]ACETYL]-4-METHYL-Piperidine, 1-[[(1,4,5,6,7,8-hexahydro-7-methyl-4-oxo[1]benzothieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-4-methyl- (9CI)[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 5,6,7,8-tetrahydro-7-methyl-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-
Database identifiers
- CAS
606106-61-0- PubChem CID
- 3153407
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 604
Related reactions
0 records
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Compound notes
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