ethyl 8-azanyl-5-(3,4-dimethoxyphenyl)-1-methyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-3-carboxylate

Systemtic Name: ethyl 8-azanyl-5-(3,4-dimethoxyphenyl)-1-methyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-3-carboxylate Openeye Name: ethyl 8-amino-5-(3,4-dimethoxyphenyl)-1-methyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylate CAS Name: 8-amino-5-(3,4-dimethoxyphenyl)-1-methyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-amino-5-(3,4-dimethoxyphenyl)-1-methyl-6-oxo-2H-pyrimido[4,5-c]diazepine-3-carboxylate Traditional Name: 8-amino-5-(3,4-dimethoxyphenyl)-6-keto-1-methyl-2H-pyrimido[4,5-c]diazepine-3-carboxylic acid ethyl ester Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C2C(=NC(=NC2=O)N)N(N1)C)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C2C(=NC(=NC2=O)N)N(N1)C)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C19H21N5O5/c1-5-29-18(26)12-9-11(10-6-7-13(27-3)14(8-10)28-4)15-16(24(2)23-12)21-19(20)22-17(15)25/h6-9,23H,5H2,1-4H3,(H2,20,22,25)