8-[5-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]pyridin-2-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[5-[2-(4-methylphenyl)-2-oxidanylidene-ethoxy]pyridin-2-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[5-[2-oxo-2-(p-tolyl)ethoxy]-2-pyridyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[5-[2-(4-methylphenyl)-2-oxoethoxy]-2-pyridinyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[5-[2-(4-methylphenyl)-2-oxoethoxy]pyridin-2-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[5-[2-keto-2-(p-tolyl)ethoxy]-2-pyridyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C25H27N5O4 MolecularWeight: 461.51298

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=NC=C(C=C3)OCC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=NC=C(C=C3)OCC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H27N5O4/c1-4-12-29-23-21(24(32)30(13-5-2)25(29)33)27-22(28-23)19-11-10-18(14-26-19)34-15-20(31)17-8-6-16(3)7-9-17/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,27,28)