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

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-cyclopentyl-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-cyclopentyl-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-cyclopentyl-5-nitropyrimidine-4,6-diamine Traditional Name: (4-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=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClN5O2/c17-12-7-5-11(6-8-12)9-18-15-14(22(23)24)16(20-10-19-15)21-13-3-1-2-4-13/h5-8,10,13H,1-4,9H2,(H2,18,19,20,21)