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

Systemtic Name: N4-cyclopentyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine Openeye Name: N6-benzyl-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-cyclopentyl-5-nitro-N6-(phenylmethyl)pyrimidine-4,6-diamine IUPAC Name: 6-N-benzyl-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O2/c22-21(23)14-15(17-10-12-6-2-1-3-7-12)18-11-19-16(14)20-13-8-4-5-9-13/h1-3,6-7,11,13H,4-5,8-10H2,(H2,17,18,19,20)