N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Openeye Name: N6-(4-isopropylphenyl)-N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitro-N6-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitro-6-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine Traditional Name: (6-cumidino-5-nitro-pyrimidin-4-yl)-methyl-(1-methyl-4-piperidyl)amine Formula: C20H28N6O2 MolecularWeight: 384.47532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC2=C(C(=NC=N2)N(C)C3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N6O2/c1-14(2)15-5-7-16(8-6-15)23-19-18(26(27)28)20(22-13-21-19)25(4)17-9-11-24(3)12-10-17/h5-8,13-14,17H,9-12H2,1-4H3,(H,21,22,23)