Basic information
- CAS
865593-33-5- Standard SMILES
C=CCn1c(=N)c(-c2nc3ccccc3s2)cc2c(=O)n3ccccc3nc21- InChIKey
DJCOMGLWIHHORA-UHFFFAOYSA-N- Molecular formula
- C21H15N5OS
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.09973129
Names & identifiers
- Preferred name
- 1-allyl-3-(benzo[d]thiazol-2-yl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one
- IUPAC
- 5-(1,3-benzothiazol-2-yl)-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Names & synonyms
865593-33-53-(1,3-benzothiazol-2-yl)-2-imino-1-(prop-2-en-1-yl)-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one3-(2-Benzothiazolyl)-1,2-dihydro-2-imino-1-(2-propen-1-yl)-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one1-allyl-3-(benzo[d]thiazol-2-yl)-2-imino-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-oneDTXSID701113671HMS1653A22STK815491AKOS002194819AB00674360-01SR-01000012626SR-01000012626-1Z57785506
Show more names
F1423-37663-(2-Benzothiazolyl)-1,2-dihydro-2-imino-1-(2-propen-1-yl)-5H-dipyrido[1,2-a:2a(2),3a(2)-d]pyrimidin-5-one5-(1,3-benzothiazol-2-yl)-6-imino-7-(prop-2-en-1-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one5-(1,3-benzothiazol-2-yl)-6-imino-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Database identifiers
- CAS
865593-33-5- PubChem CID
- 4088134
- DTXSID
DTXSID701113671
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 912
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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