5-nitro-N4-(phenylmethyl)-N6-(2-piperidin-1-ylethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N6-(2-piperidin-1-ylethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-[2-(1-piperidyl)ethyl]-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N6-[2-(1-piperidinyl)ethyl]-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-(2-piperidin-1-ylethyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(2-piperidinoethylamino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O2/c31-30(32)21-22(25-13-16-28-14-7-2-8-15-28)26-18-27-23(21)29(20-11-5-6-12-24-20)17-19-9-3-1-4-10-19/h1,3-6,9-12,18H,2,7-8,13-17H2,(H,25,26,27)