8-[1-[3-(4-methylphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-[3-(4-methylphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[1-[3-(p-tolyl)prop-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 8-[1-[3-(4-methylphenyl)prop-2-ynyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[3-(4-methylphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[1-[3-(p-tolyl)prop-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-quinone Formula: C24H26N6O2 MolecularWeight: 430.50224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O2/c1-4-12-29-22-20(23(31)30(13-5-2)24(29)32)26-21(27-22)19-15-25-28(16-19)14-6-7-18-10-8-17(3)9-11-18/h8-11,15-16H,4-5,12-14H2,1-3H3,(H,26,27)