N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine

Systemtic Name: N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-N-methyl-N-(1-methyl-4-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-methyl-N-(1-methyl-4-piperidinyl)-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3CCN(CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])N(C)C3CCN(CC3)C

InChI

InChI=1S/C20H27N5O3/c1-14(2)15-5-7-17(8-6-15)28-20-18(25(26)27)19(21-13-22-20)24(4)16-9-11-23(3)12-10-16/h5-8,13-14,16H,9-12H2,1-4H3