3-(phenylmethyl)-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-olate

Systemtic Name: 3-(phenylmethyl)-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-olate Openeye Name: 3-benzyl-2-thioxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-olate CAS Name: 3-(phenylmethyl)-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-olate IUPAC Name: 3-benzyl-2-sulfanylidene-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-olate Traditional Name: 3-benzyl-2-thioxo-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-olate Formula: C18H16N3OS- MolecularWeight: 322.40414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=NC(=S)N(C(=C3C=C2C1)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CCC2=NC3=NC(=S)N(C(=C3C=C2C1)[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/h1-3,6-7,10,22H,4-5,8-9,11H2/p-1