N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H24N6O4S MolecularWeight: 432.49666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N6O4S/c1-13-3-6-17(14(2)11-13)30(28,29)24-9-7-23(8-10-24)19-20-12-16(25(26)27)18(22-19)21-15-4-5-15/h3,6,11-12,15H,4-5,7-10H2,1-2H3,(H,20,21,22)