N6-cyclopentyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-cyclopentyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-cyclopentyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-cyclopentyl-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-cyclopentyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cyclopentylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O2/c28-27(29)19-20(25-17-10-4-5-11-17)23-15-24-21(19)26(18-12-6-7-13-22-18)14-16-8-2-1-3-9-16/h1-3,6-9,12-13,15,17H,4-5,10-11,14H2,(H,23,24,25)