3-(phenylmethyl)-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one

Systemtic Name: 3-(phenylmethyl)-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one Openeye Name: 3-benzyl-2-thioxo-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one CAS Name: 3-(phenylmethyl)-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one IUPAC Name: 3-benzyl-2-sulfanylidene-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one Traditional Name: 3-benzyl-2-thioxo-6,7,8,9-tetrahydro-1H-pyrimido[4,5-b]quinolin-4-one Formula: C18H17N3OS MolecularWeight: 323.41208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C3C(=N2)NC(=S)N(C3=O)CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C=C3C(=N2)NC(=S)N(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C18H17N3OS/c22-17-14-10-13-8-4-5-9-15(13)19-16(14)20-18(23)21(17)11-12-6-2-1-3-7-12/h1-3,6-7,10H,4-5,8-9,11H2,(H,19,20,23)