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

Systemtic Name: 5-nitro-N6-(4-propan-2-ylphenyl)-N4-quinolin-5-yl-pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropylphenyl)-5-nitro-N4-(5-quinolyl)pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(4-propan-2-ylphenyl)-N4-(5-quinolinyl)pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(4-propan-2-ylphenyl)-4-N-quinolin-5-ylpyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-(5-quinolyl)amine Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H20N6O2/c1-14(2)15-8-10-16(11-9-15)26-21-20(28(29)30)22(25-13-24-21)27-19-7-3-6-18-17(19)5-4-12-23-18/h3-14H,1-2H3,(H2,24,25,26,27)