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

Systemtic Name: N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[4-(4-methoxyphenyl)sulfonylpiperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C18H22N6O5S MolecularWeight: 434.46948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O5S/c1-29-14-4-6-15(7-5-14)30(27,28)23-10-8-22(9-11-23)18-19-12-16(24(25)26)17(21-18)20-13-2-3-13/h4-7,12-13H,2-3,8-11H2,1H3,(H,19,20,21)