Ethyl 1-allyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxylate

HCID 706386

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Basic information

CAS: 497942-95-7
Standard SMILES: C=CCn1c(=N)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21
InChIKey: BFBCKETWKDMXKD-UHFFFAOYSA-N
Molecular formula: C17H16N4O3
Average molar mass: 324.33 g/mol
Monoisotopic mass: 324.12224039

Names & identifiers

Preferred name: Ethyl 1-allyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxylate
IUPAC: ethyl 6-imino-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate

Names & synonyms

ethyl 2-imino-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylateSTK815037AKOS000529123ST50091716Z57784958ETHYL 1-ALLYL-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXYLATEethyl 1-allyl-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylateethyl 2-imino-5-oxo-1-prop-2-enyl-1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyr imidine-3-carboxylate

Database identifiers

CAS: 497942-95-7
PubChem CID: 706386
EC Number: 135-585-2

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 86.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 24
Formal charge: 0
Complexity: 799

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