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

Systemtic Name: 4-azanyl-5-(3-ethoxy-4-oxidanyl-phenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Openeye Name: 4-amino-5-(3-ethoxy-4-hydroxy-phenyl)-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one CAS Name: 4-amino-5-(3-ethoxy-4-hydroxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one IUPAC Name: 4-amino-5-(3-ethoxy-4-hydroxyphenyl)-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Traditional Name: 4-amino-5-(3-ethoxy-4-hydroxy-phenyl)-8,8-dimethyl-2-thioxo-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinolin-6-one Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S/c1-4-28-14-7-10(5-6-12(14)26)15-16-11(8-21(2,3)9-13(16)27)23-19-17(15)18(22)24-20(29)25-19/h5-7,15,26H,4,8-9H2,1-3H3,(H4,22,23,24,25,29)