2-methyl-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one

Systemtic Name: 2-methyl-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one Openeye Name: 2-methyl-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one CAS Name: 2-methyl-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one IUPAC Name: 2-methyl-1,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one Traditional Name: 2-methyl-1,5,6,7,8,9-hexahydropyrimid[4,5-d]azepin-4-one Formula: C9H13N3O MolecularWeight: 179.21902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)CCNCC2

Isomeric SMILES

CC1=NC(=O)C2=C(N1)CCNCC2

InChI

InChI=1S/C9H13N3O/c1-6-11-8-3-5-10-4-2-7(8)9(13)12-6/h10H,2-5H2,1H3,(H,11,12,13)