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

Systemtic Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Openeye Name: 6-(4-isopropylphenoxy)-N-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(4-methyl-1-piperazinyl)-5-nitro-6-(4-propan-2-ylphenoxy)-4-pyrimidinamine IUPAC Name: N-(4-methylpiperazin-1-yl)-5-nitro-6-(4-propan-2-ylphenoxy)pyrimidin-4-amine Traditional Name: [6-(4-isopropylphenoxy)-5-nitro-pyrimidin-4-yl]-(4-methylpiperazino)amine Formula: C18H24N6O3 MolecularWeight: 372.42156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=NC=NC(=C2[N+](=O)[O-])NN3CCN(CC3)C

InChI

InChI=1S/C18H24N6O3/c1-13(2)14-4-6-15(7-5-14)27-18-16(24(25)26)17(19-12-20-18)21-23-10-8-22(3)9-11-23/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21)