5-nitro-N6-(2-phenoxyethyl)-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine

Systemtic Name: 5-nitro-N6-(2-phenoxyethyl)-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine Openeye Name: 5-nitro-N6-(2-phenoxyethyl)-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine CAS Name: 5-nitro-N6-(2-phenoxyethyl)-N4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine IUPAC Name: 5-nitro-6-N-(2-phenoxyethyl)-4-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-4,6-diamine Traditional Name: [5-nitro-6-(2-phenoxyethylamino)pyrimidin-4-yl]-(3,4,5-trimethoxybenzyl)amine Formula: C22H25N5O6 MolecularWeight: 455.4638

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC2=C(C(=NC=N2)NCCOC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC2=C(C(=NC=N2)NCCOC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6/c1-30-17-11-15(12-18(31-2)20(17)32-3)13-24-22-19(27(28)29)21(25-14-26-22)23-9-10-33-16-7-5-4-6-8-16/h4-8,11-12,14H,9-10,13H2,1-3H3,(H2,23,24,25,26)