Basic information
- CAS
30768-50-4- Standard SMILES
CCOC(=O)Nc1cc2c(c(N)n1)N=C(CN(C)c1ccc(C(=O)OC)cc1)CN2- InChIKey
XBHLDPLKLQVISW-UHFFFAOYSA-N- Molecular formula
- C20H24N6O4
- Average molar mass
- 412.4 g/mol
- Monoisotopic mass
- 412.18590327
Names & identifiers
- Preferred name
- Methyl 4-(((5-amino-7-((ethoxycarbonyl)amino)-1,2-dihydropyrido(3,4-b)pyrazin-3-yl)methyl)methylamino)benzoate
- IUPAC
- methyl 4-[[5-amino-7-(ethoxycarbonylamino)-1,2-dihydropyrido[3,4-b]pyrazin-3-yl]methyl-methylamino]benzoate
Names & synonyms
30768-50-42474MH090TNSC-128300Methyl 4-(((5-amino-7-((ethoxycarbonyl)amino)-1,2-dihydropyrido(3,4-b)pyrazin-3-yl)methyl)methylamino)benzoatePyrido(3,4-b)pyrazine-7-carbamic acid, 5-amino-3-((p-carboxy-N-methylanilino)methyl)-1,2-dihydro-, 7-ethyl methyl esterNSC128300CHEMBL9597SCHEMBL13328070UNII-2474MH090TDTXSID10952980NSC 1283007-Ethyl methyl 5-amino-3-((p-carboxy-N-methylanilino)methyl)-1,2-dihydropyrido(3,4-b)pyrazine-7-carbamate
Show more names
BENZOIC ACID, 4-(((5-AMINO-7-((ETHOXYCARBONYL)AMINO)-1,2-DIHYDROPYRIDO(3,4-B)PYRAZIN-3-YL)METHYL)METHYLAMINO)-, METHYL ESTERMethyl 4-{[(5-amino-7-{[ethoxy(hydroxy)methylidene]amino}-1,2-dihydropyrido[3,4-b]pyrazin-3-yl)methyl](methyl)amino}benzoate
Database identifiers
- CAS
30768-50-4- PubChem CID
- 97504
- DTXSID
DTXSID10952980- ChEMBL
CHEMBL9597
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 637
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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