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

Systemtic Name: 4-phenyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Openeye Name: 4-phenyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione CAS Name: 4-phenyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione IUPAC Name: 4-phenyl-1,3,5,6,7,8-hexahydropyrimido[4,5-b]azepine-2-thione Traditional Name: 4-phenyl-1,3,5,6,7,8-hexahydropyrimid[4,5-b]azepine-2-thione Formula: C14H15N3S MolecularWeight: 257.354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3S/c18-14-16-12(10-6-2-1-3-7-10)11-8-4-5-9-15-13(11)17-14/h1-3,6-7H,4-5,8-9H2,(H2,15,16,17,18)