ethyl N-(4-azanyl-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-2-yl)carbamate

Systemtic Name: ethyl N-(4-azanyl-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-2-yl)carbamate Openeye Name: ethyl N-(4-amino-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-2-yl)carbamate CAS Name: N-(4-amino-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-2-yl)carbamic acid ethyl ester IUPAC Name: ethyl N-(4-amino-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-2-yl)carbamate Traditional Name: N-(4-amino-6-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-2-yl)carbamic acid ethyl ester Formula: C16H18N6O2 MolecularWeight: 326.35312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NC2=C(C(=N1)N)N=C(CCN2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)NC1=NC2=C(C(=N1)N)N=C(CCN2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N6O2/c1-2-24-16(23)22-15-20-13(17)12-14(21-15)18-9-8-11(19-12)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H4,17,18,20,21,22,23)