N4-cyclopropyl-N2-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[4-methoxy-3-(1-piperidylsulfonyl)phenyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[4-methoxy-3-(1-piperidinylsulfonyl)phenyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-(4-methoxy-3-piperidinosulfonyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C19H24N6O5S MolecularWeight: 448.49606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C19H24N6O5S/c1-30-16-8-7-14(11-17(16)31(28,29)24-9-3-2-4-10-24)22-19-20-12-15(25(26)27)18(23-19)21-13-5-6-13/h7-8,11-13H,2-6,9-10H2,1H3,(H2,20,21,22,23)