ethyl 2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-cyano-4-oxidanylidene-quinolizine-1-carboxylate

Systemtic Name: ethyl 2-[(4-azanyl-2-methyl-pyrimidin-5-yl)methylamino]-3-cyano-4-oxidanylidene-quinolizine-1-carboxylate Openeye Name: ethyl 2-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-3-cyano-4-oxo-quinolizine-1-carboxylate CAS Name: 2-[(4-amino-2-methyl-5-pyrimidinyl)methylamino]-3-cyano-4-oxo-1-quinolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-amino-2-methylpyrimidin-5-yl)methylamino]-3-cyano-4-oxoquinolizine-1-carboxylate Traditional Name: 2-[(4-amino-2-methyl-pyrimidin-5-yl)methylamino]-3-cyano-4-keto-quinolizine-1-carboxylic acid ethyl ester Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C(=O)C(=C1NCC3=CN=C(N=C3N)C)C#N

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C(=O)C(=C1NCC3=CN=C(N=C3N)C)C#N

InChI

InChI=1S/C19H18N6O3/c1-3-28-19(27)15-14-6-4-5-7-25(14)18(26)13(8-20)16(15)23-10-12-9-22-11(2)24-17(12)21/h4-7,9,23H,3,10H2,1-2H3,(H2,21,22,24)