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

Systemtic Name: 4-azanyl-8,8-dimethyl-5-(4-phenylmethoxyphenyl)-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Openeye Name: 4-amino-5-(4-benzyloxyphenyl)-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one CAS Name: 4-amino-8,8-dimethyl-5-(4-phenylmethoxyphenyl)-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one IUPAC Name: 4-amino-8,8-dimethyl-5-(4-phenylmethoxyphenyl)-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Traditional Name: 4-amino-5-(4-benzoxyphenyl)-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Formula: C26H26N4O2S MolecularWeight: 458.57524

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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)OCC5=CC=CC=C5)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(NC(=S)N=C3N2)N)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(=O)C1)C

InChI

InChI=1S/C26H26N4O2S/c1-26(2)12-18-21(19(31)13-26)20(22-23(27)29-25(33)30-24(22)28-18)16-8-10-17(11-9-16)32-14-15-6-4-3-5-7-15/h3-11,20H,12-14H2,1-2H3,(H4,27,28,29,30,33)