4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidine Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-5-nitro-6-(p-tolylsulfanyl)pyrimidine CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-6-[(4-methylphenyl)thio]-5-nitropyrimidine IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(4-methylphenyl)sulfanyl-5-nitropyrimidine Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-5-nitro-6-(p-tolylthio)pyrimidine Formula: C22H23N5O3S MolecularWeight: 437.51472

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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=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c1-16-3-9-19(10-4-16)31-22-20(27(28)29)21(23-15-24-22)26-13-11-25(12-14-26)17-5-7-18(30-2)8-6-17/h3-10,15H,11-14H2,1-2H3