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

Systemtic Name: 4-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine CAS Name: 4-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-6-(4-propylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-6-(4-propylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)-6-(4-propylsulfonylpiperazino)pyrimidine Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5S/c1-4-13-32(29,30)25-11-9-24(10-12-25)21-19(20(15-31-3)22-16(2)23-21)14-17-5-7-18(8-6-17)26(27)28/h5-8H,4,9-15H2,1-3H3