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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC4=CC=C(C=C4)C

InChI

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