ethyl 8-azanyl-1,3-dimethyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-5-carboxylate

Systemtic Name: ethyl 8-azanyl-1,3-dimethyl-6-oxidanylidene-2H-pyrimido[4,5-c][1,2]diazepine-5-carboxylate Openeye Name: ethyl 8-amino-1,3-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-5-carboxylate CAS Name: 8-amino-1,3-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 8-amino-1,3-dimethyl-6-oxo-2H-pyrimido[4,5-c]diazepine-5-carboxylate Traditional Name: 8-amino-6-keto-1,3-dimethyl-2H-pyrimido[4,5-c]diazepine-5-carboxylic acid ethyl ester Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=NC(=NC2=O)N)N(NC(=C1)C)C

Isomeric SMILES

CCOC(=O)C1=C2C(=NC(=NC2=O)N)N(NC(=C1)C)C

InChI

InChI=1S/C12H15N5O3/c1-4-20-11(19)7-5-6(2)16-17(3)9-8(7)10(18)15-12(13)14-9/h5,16H,4H2,1-3H3,(H2,13,15,18)