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

Systemtic Name: 8-[4-[3-(4-methylphenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[4-[3-(p-tolyl)prop-2-ynoxy]phenyl]-7H-purine-2,6-dione CAS Name: 8-[4-[3-(4-methylphenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[3-(4-methylphenyl)prop-2-ynoxy]phenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[4-[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=C(C=C3)OCC#CC4=CC=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O3/c1-4-16-30-25-23(26(32)31(17-5-2)27(30)33)28-24(29-25)21-12-14-22(15-13-21)34-18-6-7-20-10-8-19(3)9-11-20/h8-15H,4-5,16-18H2,1-3H3,(H,28,29)