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

Systemtic Name: 4-azanyl-5-(4-ethoxy-3-methoxy-phenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Openeye Name: 4-amino-5-(4-ethoxy-3-methoxy-phenyl)-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one CAS Name: 4-amino-5-(4-ethoxy-3-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one IUPAC Name: 4-amino-5-(4-ethoxy-3-methoxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Traditional Name: 4-amino-5-(4-ethoxy-3-methoxy-phenyl)-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=NC(=S)NC(=C24)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=NC(=S)NC(=C24)N)OC

InChI

InChI=1S/C22H26N4O3S/c1-5-29-14-7-6-11(8-15(14)28-4)16-17-12(9-22(2,3)10-13(17)27)24-20-18(16)19(23)25-21(30)26-20/h6-8,16H,5,9-10H2,1-4H3,(H4,23,24,25,26,30)