N-(3-methoxyphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(3-methoxyphenyl)-6-(4-methylphenyl)sulfanyl-5-nitro-pyrimidin-4-amine Openeye Name: N-(3-methoxyphenyl)-5-nitro-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: N-(3-methoxyphenyl)-6-[(4-methylphenyl)thio]-5-nitro-4-pyrimidinamine IUPAC Name: N-(3-methoxyphenyl)-6-(4-methylphenyl)sulfanyl-5-nitropyrimidin-4-amine Traditional Name: (3-methoxyphenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)OC

InChI

InChI=1S/C18H16N4O3S/c1-12-6-8-15(9-7-12)26-18-16(22(23)24)17(19-11-20-18)21-13-4-3-5-14(10-13)25-2/h3-11H,1-2H3,(H,19,20,21)