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

Systemtic Name: 4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-[(4-nitrophenyl)methyl]pyrimidine Openeye Name: 4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-[(4-nitrophenyl)methyl]pyrimidine CAS Name: 4-(methoxymethyl)-2-methyl-6-(4-methylsulfonyl-1-piperazinyl)-5-[(4-nitrophenyl)methyl]pyrimidine IUPAC Name: 4-(methoxymethyl)-2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-5-[(4-nitrophenyl)methyl]pyrimidine Traditional Name: 4-(4-mesylpiperazino)-6-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)pyrimidine Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCN(CC2)S(=O)(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-])COC

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCN(CC2)S(=O)(=O)C)CC3=CC=C(C=C3)[N+](=O)[O-])COC

InChI

InChI=1S/C19H25N5O5S/c1-14-20-18(13-29-2)17(12-15-4-6-16(7-5-15)24(25)26)19(21-14)22-8-10-23(11-9-22)30(3,27)28/h4-7H,8-13H2,1-3H3