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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanyl-pyrimidine CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-5-nitro-6-(phenylthio)pyrimidine IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-5-nitro-6-phenylsulfanylpyrimidine Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-5-nitro-6-(phenylthio)pyrimidine Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O2S/c1-16-7-6-10-19(17(16)2)25-11-13-26(14-12-25)21-20(27(28)29)22(24-15-23-21)30-18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3