N4-(3-methylphenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine

Systemtic Name: N4-(3-methylphenyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine Openeye Name: N4-(m-tolyl)-5-nitro-N6-propyl-pyrimidine-4,6-diamine CAS Name: N4-(3-methylphenyl)-5-nitro-N6-propylpyrimidine-4,6-diamine IUPAC Name: 4-N-(3-methylphenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine Traditional Name: [6-(m-toluidino)-5-nitro-pyrimidin-4-yl]-propyl-amine Formula: C14H17N5O2 MolecularWeight: 287.31708

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C

Isomeric SMILES

CCCNC1=NC=NC(=C1[N+](=O)[O-])NC2=CC=CC(=C2)C

InChI

InChI=1S/C14H17N5O2/c1-3-7-15-13-12(19(20)21)14(17-9-16-13)18-11-6-4-5-10(2)8-11/h4-6,8-9H,3,7H2,1-2H3,(H2,15,16,17,18)