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

Systemtic Name: 2,4-dimethyl-5-[(4-nitrophenyl)methyl]-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Openeye Name: 4-(4-isopropylsulfonylpiperazin-1-yl)-2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidine CAS Name: 2,4-dimethyl-5-[(4-nitrophenyl)methyl]-6-(4-propan-2-ylsulfonyl-1-piperazinyl)pyrimidine IUPAC Name: 2,4-dimethyl-5-[(4-nitrophenyl)methyl]-6-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine Traditional Name: 4-(4-isopropylsulfonylpiperazino)-2,6-dimethyl-5-(4-nitrobenzyl)pyrimidine Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4S/c1-14(2)30(28,29)24-11-9-23(10-12-24)20-19(15(3)21-16(4)22-20)13-17-5-7-18(8-6-17)25(26)27/h5-8,14H,9-13H2,1-4H3