4-(4-azanyl-8,8-dimethyl-6-oxidanylidene-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-5-yl)benzenecarbonitrile

Systemtic Name: 4-(4-azanyl-8,8-dimethyl-6-oxidanylidene-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-5-yl)benzenecarbonitrile Openeye Name: 4-(4-amino-8,8-dimethyl-6-oxo-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-5-yl)benzonitrile CAS Name: 4-(4-amino-8,8-dimethyl-6-oxo-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-5-yl)benzonitrile IUPAC Name: 4-(4-amino-8,8-dimethyl-6-oxo-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-5-yl)benzonitrile Traditional Name: 4-(4-amino-6-keto-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-5-yl)benzonitrile Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(NC(=S)N=C3N2)N)C4=CC=C(C=C4)C#N)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(NC(=S)N=C3N2)N)C4=CC=C(C=C4)C#N)C(=O)C1)C

InChI

InChI=1S/C20H19N5OS/c1-20(2)7-12-15(13(26)8-20)14(11-5-3-10(9-21)4-6-11)16-17(22)24-19(27)25-18(16)23-12/h3-6,14H,7-8H2,1-2H3,(H4,22,23,24,25,27)