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

Systemtic Name: 4-thiophen-2-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Openeye Name: 4-(2-thienyl)-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione CAS Name: 4-thiophen-2-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione IUPAC Name: 4-thiophen-2-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Traditional Name: 4-(2-thienyl)-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepine-2-thione Formula: C12H13N3S2 MolecularWeight: 263.38172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C2C(=C(NC(=S)N2)C3=CC=CS3)C1

Isomeric SMILES

C1CCN=C2C(=C(NC(=S)N2)C3=CC=CS3)C1

InChI

InChI=1S/C12H13N3S2/c16-12-14-10(9-5-3-7-17-9)8-4-1-2-6-13-11(8)15-12/h3,5,7H,1-2,4,6H2,(H2,13,14,15,16)