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

Systemtic Name: 5-nitro-N4-(phenylmethyl)-N6-(4-propan-2-ylphenyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-isopropylphenyl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N4-(phenylmethyl)-N6-(4-propan-2-ylphenyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-5-nitro-6-N-(4-propan-2-ylphenyl)-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-(6-cumidino-5-nitro-pyrimidin-4-yl)-(2-pyridyl)amine Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N6O2/c1-18(2)20-11-13-21(14-12-20)29-24-23(31(32)33)25(28-17-27-24)30(22-10-6-7-15-26-22)16-19-8-4-3-5-9-19/h3-15,17-18H,16H2,1-2H3,(H,27,28,29)