ethyl 10-ethyl-4-oxidanylidene-2-pyrimidin-2-yl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-8-carboxylate

Systemtic Name: ethyl 10-ethyl-4-oxidanylidene-2-pyrimidin-2-yl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-8-carboxylate Openeye Name: ethyl 10-ethyl-4-oxo-2-pyrimidin-2-yl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-8-carboxylate CAS Name: 10-ethyl-4-oxo-2-(2-pyrimidinyl)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 10-ethyl-4-oxo-2-pyrimidin-2-yl-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-8-carboxylate Traditional Name: 10-ethyl-4-keto-2-(2-pyrimidyl)-6,7,9,10-tetrahydropyrimido[1,2-d][1,4]diazepine-8-carboxylic acid ethyl ester Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN2C1=NC(=CC2=O)C3=NC=CC=N3)C(=O)OCC

Isomeric SMILES

CCC1CN(CCN2C1=NC(=CC2=O)C3=NC=CC=N3)C(=O)OCC

InChI

InChI=1S/C17H21N5O3/c1-3-12-11-21(17(24)25-4-2)8-9-22-14(23)10-13(20-16(12)22)15-18-6-5-7-19-15/h5-7,10,12H,3-4,8-9,11H2,1-2H3