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

Systemtic Name: N6-cyclopentyl-N4-ethyl-N4-(3-methylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-cyclopentyl-N4-ethyl-N4-(m-tolyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-cyclopentyl-N4-ethyl-N4-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-cyclopentyl-4-N-ethyl-4-N-(3-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: [6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]-ethyl-(m-tolyl)amine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3

Isomeric SMILES

CCN(C1=CC=CC(=C1)C)C2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3

InChI

InChI=1S/C18H23N5O2/c1-3-22(15-10-6-7-13(2)11-15)18-16(23(24)25)17(19-12-20-18)21-14-8-4-5-9-14/h6-7,10-12,14H,3-5,8-9H2,1-2H3,(H,19,20,21)