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

Systemtic Name: 5-nitro-N6-phenethyl-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-5-nitro-N6-phenethyl-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-phenethyl-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-phenethyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[5-nitro-6-(phenethylamino)pyrimidin-4-yl]-(2-pyridyl)amine Formula: C24H22N6O2 MolecularWeight: 426.47048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=C(C(=NC=N2)N(CC3=CC=CC=C3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O2/c31-30(32)22-23(26-16-14-19-9-3-1-4-10-19)27-18-28-24(22)29(21-13-7-8-15-25-21)17-20-11-5-2-6-12-20/h1-13,15,18H,14,16-17H2,(H,26,27,28)