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

Systemtic Name: 4-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-isopropylsulfonylpiperazin-1-yl)-6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidine CAS Name: 4-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-6-(4-propan-2-ylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 4-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-isopropylsulfonylpiperazino)-6-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)pyrimidine Formula: C21H29N5O5S MolecularWeight: 463.55046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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