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

Systemtic Name: N6-cycloheptyl-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-cycloheptyl-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-cycloheptyl-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-cycloheptyl-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-(cycloheptylamino)-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCCC(CC1)NC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H26N6O2/c30-29(31)21-22(27-19-12-6-1-2-7-13-19)25-17-26-23(21)28(20-14-8-9-15-24-20)16-18-10-4-3-5-11-18/h3-5,8-11,14-15,17,19H,1-2,6-7,12-13,16H2,(H,25,26,27)