8-[3-[3-(4-methylphenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[3-[3-(4-methylphenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[3-[3-(p-tolyl)prop-2-ynoxy]phenyl]-7H-purine-2,6-dione CAS Name: 8-[3-[3-(4-methylphenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[3-[3-(4-methylphenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[3-[3-(p-tolyl)prop-2-ynoxy]phenyl]-7H-purine-2,6-quinone Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=CC=C3)OCC#CC4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC(=CC=C3)OCC#CC4=CC=C(C=C4)C

InChI

InChI=1S/C27H28N4O3/c1-4-15-30-25-23(26(32)31(16-5-2)27(30)33)28-24(29-25)21-9-6-10-22(18-21)34-17-7-8-20-13-11-19(3)12-14-20/h6,9-14,18H,4-5,15-17H2,1-3H3,(H,28,29)