4-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione

Systemtic Name: 4-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Openeye Name: 4-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione CAS Name: 4-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione IUPAC Name: 4-butyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Traditional Name: 4-butyl-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepine-2-thione Formula: C12H19N3S MolecularWeight: 237.36436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CCCCN=C2NC(=S)N1

Isomeric SMILES

CCCCC1=C2CCCCN=C2NC(=S)N1

InChI

InChI=1S/C12H19N3S/c1-2-3-7-10-9-6-4-5-8-13-11(9)15-12(16)14-10/h2-8H2,1H3,(H2,13,14,15,16)