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

Systemtic Name: 4-pentan-3-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Openeye Name: 4-(1-ethylpropyl)-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione CAS Name: 4-pentan-3-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione IUPAC Name: 4-pentan-3-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Traditional Name: 4-(1-ethylpropyl)-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepine-2-thione Formula: C13H21N3S MolecularWeight: 251.39094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C2CCCCN=C2NC(=S)N1

Isomeric SMILES

CCC(CC)C1=C2CCCCN=C2NC(=S)N1

InChI

InChI=1S/C13H21N3S/c1-3-9(4-2)11-10-7-5-6-8-14-12(10)16-13(17)15-11/h9H,3-8H2,1-2H3,(H2,14,15,16,17)