N4-(2-methylphenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine

Systemtic Name: N4-(2-methylphenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Openeye Name: 5-nitro-N4-(o-tolyl)-N6-[2-(2-thienyl)ethyl]pyrimidine-4,6-diamine CAS Name: N4-(2-methylphenyl)-5-nitro-N6-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(2-methylphenyl)-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(o-toluidino)pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C17H17N5O2S MolecularWeight: 355.41418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC2=C(C(=NC=N2)NCCC3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O2S/c1-12-5-2-3-7-14(12)21-17-15(22(23)24)16(19-11-20-17)18-9-8-13-6-4-10-25-13/h2-7,10-11H,8-9H2,1H3,(H2,18,19,20,21)