5-[4-(diethylamino)phenyl]-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Systemtic Name: 5-[4-(diethylamino)phenyl]-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Openeye Name: 5-[4-(diethylamino)phenyl]-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione CAS Name: 5-[4-(diethylamino)phenyl]-8,8-dimethyl-2-[(4-nitrophenyl)methylthio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione IUPAC Name: 5-[4-(diethylamino)phenyl]-8,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione Traditional Name: 5-[4-(diethylamino)phenyl]-8,8-dimethyl-2-[(4-nitrobenzyl)thio]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-quinone Formula: C30H33N5O4S MolecularWeight: 559.67912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)N=C(N4)SCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H33N5O4S/c1-5-34(6-2)20-13-9-19(10-14-20)24-25-22(15-30(3,4)16-23(25)36)31-27-26(24)28(37)33-29(32-27)40-17-18-7-11-21(12-8-18)35(38)39/h7-14,24H,5-6,15-17H2,1-4H3,(H2,31,32,33,37)