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

Systemtic Name: 4-pyridin-4-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Openeye Name: 4-(4-pyridyl)-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione CAS Name: 4-pyridin-4-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione IUPAC Name: 4-pyridin-4-yl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Traditional Name: 4-(4-pyridyl)-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepine-2-thione Formula: C13H14N4S MolecularWeight: 258.34206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4S/c18-13-16-11(9-4-7-14-8-5-9)10-3-1-2-6-15-12(10)17-13/h4-5,7-8H,1-3,6H2,(H2,15,16,17,18)