N-(1-methoxypropan-2-yl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-methoxypropan-2-yl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(2-methoxy-1-methyl-ethyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(1-methoxypropan-2-yl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-methoxypropan-2-yl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (2-methoxy-1-methyl-ethyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC(C)COC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC(C)COC

InChI

InChI=1S/C15H18N4O3S/c1-10-4-6-12(7-5-10)23-15-13(19(20)21)14(16-9-17-15)18-11(2)8-22-3/h4-7,9,11H,8H2,1-3H3,(H,16,17,18)