N6-[(2-chlorophenyl)methyl]-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N6-[(2-chlorophenyl)methyl]-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(2-chlorophenyl)methyl]-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(2-chlorophenyl)methyl]-N4-cyclopentyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(2-chlorophenyl)methyl]-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C16H18ClN5O2 MolecularWeight: 347.79942

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H18ClN5O2/c17-13-8-4-1-5-11(13)9-18-15-14(22(23)24)16(20-10-19-15)21-12-6-2-3-7-12/h1,4-5,8,10,12H,2-3,6-7,9H2,(H2,18,19,20,21)