N6-cyclopentyl-N4-methyl-5-nitro-N4-(phenylmethyl)pyrimidine-4,6-diamine

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2/c1-21(11-13-7-3-2-4-8-13)17-15(22(23)24)16(18-12-19-17)20-14-9-5-6-10-14/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,18,19,20)