4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)-5-propan-2-yl-pyrimidine

Systemtic Name: 4-[4-(4-chloranyl-3-nitro-phenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)-5-propan-2-yl-pyrimidine Openeye Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazin-1-yl]-5-isopropyl-6-methyl-2-(p-tolyl)pyrimidine CAS Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonyl-1-piperazinyl]-6-methyl-2-(4-methylphenyl)-5-propan-2-ylpyrimidine IUPAC Name: 4-[4-(4-chloro-3-nitrophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-(4-methylphenyl)-5-propan-2-ylpyrimidine Traditional Name: 4-[4-(4-chloro-3-nitro-phenyl)sulfonylpiperazino]-5-isopropyl-6-methyl-2-(p-tolyl)pyrimidine Formula: C25H28ClN5O4S MolecularWeight: 530.03892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C(=N2)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C(C)C)C

InChI

InChI=1S/C25H28ClN5O4S/c1-16(2)23-18(4)27-24(19-7-5-17(3)6-8-19)28-25(23)29-11-13-30(14-12-29)36(34,35)20-9-10-21(26)22(15-20)31(32)33/h5-10,15-16H,11-14H2,1-4H3