3-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one CAS Name: 3-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-6-nitro-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-6-nitro-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-6-nitro-4-phenyl-carbostyril Formula: C27H20N4O4S MolecularWeight: 496.5371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SC2=C(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H20N4O4S/c1-16-20(14-17-8-4-2-5-9-17)25(32)30-27(28-16)36-24-23(18-10-6-3-7-11-18)21-15-19(31(34)35)12-13-22(21)29-26(24)33/h2-13,15H,14H2,1H3,(H,29,33)(H,28,30,32)