1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5-[(3-phenoxyphenyl)methyl]pyrimidine-2,4-dione

Systemtic Name: 1-[1,3-bis(oxidanyl)propan-2-yloxymethyl]-5-[(3-phenoxyphenyl)methyl]pyrimidine-2,4-dione Openeye Name: 1-[[2-hydroxy-1-(hydroxymethyl)ethoxy]methyl]-5-[(3-phenoxyphenyl)methyl]pyrimidine-2,4-dione CAS Name: 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-[(3-phenoxyphenyl)methyl]pyrimidine-2,4-dione IUPAC Name: 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-[(3-phenoxyphenyl)methyl]pyrimidine-2,4-dione Traditional Name: 1-[(2-hydroxy-1-methylol-ethoxy)methyl]-5-(3-phenoxybenzyl)pyrimidine-2,4-quinone Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)CC3=CN(C(=O)NC3=O)COC(CO)CO

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)CC3=CN(C(=O)NC3=O)COC(CO)CO

InChI

InChI=1S/C21H22N2O6/c24-12-19(13-25)28-14-23-11-16(20(26)22-21(23)27)9-15-5-4-8-18(10-15)29-17-6-2-1-3-7-17/h1-8,10-11,19,24-25H,9,12-14H2,(H,22,26,27)