N4-cyclopentyl-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-cyclopentyl-N6-[(4-methylphenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-cyclopentyl-5-nitro-N6-(p-tolylmethyl)pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-N6-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-cyclopentyl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: cyclopentyl-[6-[(4-methylbenzyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC=NC(=C2[N+](=O)[O-])NC3CCCC3

InChI

InChI=1S/C17H21N5O2/c1-12-6-8-13(9-7-12)10-18-16-15(22(23)24)17(20-11-19-16)21-14-4-2-3-5-14/h6-9,11,14H,2-5,10H2,1H3,(H2,18,19,20,21)