4-azanyl-8,8-dimethyl-2-methylsulfanyl-5-(4-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one

Systemtic Name: 4-azanyl-8,8-dimethyl-2-methylsulfanyl-5-(4-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Openeye Name: 4-amino-8,8-dimethyl-2-methylsulfanyl-5-(4-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one CAS Name: 4-amino-8,8-dimethyl-2-(methylthio)-5-(4-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one IUPAC Name: 4-amino-8,8-dimethyl-2-methylsulfanyl-5-(4-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Traditional Name: 4-amino-8,8-dimethyl-2-(methylthio)-5-(4-nitrophenyl)-5,7,9,10-tetrahydropyrimido[4,5-b]quinolin-6-one Formula: C20H21N5O3S MolecularWeight: 411.47744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C3=C(N2)N=C(N=C3N)SC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C3=C(N2)N=C(N=C3N)SC)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C

InChI

InChI=1S/C20H21N5O3S/c1-20(2)8-12-15(13(26)9-20)14(10-4-6-11(7-5-10)25(27)28)16-17(21)23-19(29-3)24-18(16)22-12/h4-7,14H,8-9H2,1-3H3,(H3,21,22,23,24)