N4-cyclopropyl-N2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N4-cyclopropyl-N2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N4-cyclopropyl-N2-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N4-cyclopropyl-N2-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 4-N-cyclopropyl-2-N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-5-nitropyrimidine-2,4-diamine Traditional Name: cyclopropyl-[2-[2-[(1-methylimidazol-2-yl)thio]ethylamino]-5-nitro-pyrimidin-4-yl]amine Formula: C13H17N7O2S MolecularWeight: 335.38478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SCCNC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O2S/c1-19-6-4-15-13(19)23-7-5-14-12-16-8-10(20(21)22)11(18-12)17-9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3,(H2,14,16,17,18)