4-tert-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one

Systemtic Name: 4-tert-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one Openeye Name: 4-tert-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one CAS Name: 4-tert-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one IUPAC Name: 4-tert-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepin-2-one Traditional Name: 4-tert-butyl-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepin-2-one Formula: C12H19N3O MolecularWeight: 221.29876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2CCCCN=C2NC(=O)N1

Isomeric SMILES

CC(C)(C)C1=C2CCCCN=C2NC(=O)N1

InChI

InChI=1S/C12H19N3O/c1-12(2,3)9-8-6-4-5-7-13-10(8)15-11(16)14-9/h4-7H2,1-3H3,(H2,13,14,15,16)