6-(4-methylpiperazin-1-yl)-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Openeye Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine CAS Name: 6-(4-methyl-1-piperazinyl)-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]-4-pyrimidinamine IUPAC Name: 6-(4-methylpiperazin-1-yl)-5-nitro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-4-amine Traditional Name: [6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C19H26N6O5 MolecularWeight: 418.44694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CC(=C(C(=C3)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C19H26N6O5/c1-23-5-7-24(8-6-23)19-16(25(26)27)18(21-12-22-19)20-11-13-9-14(28-2)17(30-4)15(10-13)29-3/h9-10,12H,5-8,11H2,1-4H3,(H,20,21,22)