4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-6-[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-6-(p-tolylthio)pyrimidine Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])N3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C23H25N5O2S/c1-16-7-9-19(10-8-16)31-23-21(28(29)30)22(24-15-25-23)27-13-11-26(12-14-27)20-6-4-5-17(2)18(20)3/h4-10,15H,11-14H2,1-3H3