4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidine

Systemtic Name: 4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidine Openeye Name: 4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidine CAS Name: 4-(4-ethylsulfonyl-1-piperazinyl)-6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidine IUPAC Name: 4-(4-ethylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidine Traditional Name: 4-(4-esylpiperazino)-6-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)pyrimidine Formula: C20H27N5O5S MolecularWeight: 449.52388

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])COC)C

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=C(C=C3)[N+](=O)[O-])COC)C

InChI

InChI=1S/C20H27N5O5S/c1-4-31(28,29)24-11-9-23(10-12-24)20-18(19(14-30-3)21-15(2)22-20)13-16-5-7-17(8-6-16)25(26)27/h5-8H,4,9-14H2,1-3H3