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

Systemtic Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Openeye Name: 5-nitro-N-(3-nitrophenyl)-6-(p-tolylsulfanyl)pyrimidin-4-amine CAS Name: 6-[(4-methylphenyl)thio]-5-nitro-N-(3-nitrophenyl)-4-pyrimidinamine IUPAC Name: 6-(4-methylphenyl)sulfanyl-5-nitro-N-(3-nitrophenyl)pyrimidin-4-amine Traditional Name: (3-nitrophenyl)-[5-nitro-6-(p-tolylthio)pyrimidin-4-yl]amine Formula: C17H13N5O4S MolecularWeight: 383.38122

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5O4S/c1-11-5-7-14(8-6-11)27-17-15(22(25)26)16(18-10-19-17)20-12-3-2-4-13(9-12)21(23)24/h2-10H,1H3,(H,18,19,20)