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

Systemtic Name: 3-ethyl-8-[1-[3-(3-methylphenyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Openeye Name: 3-ethyl-8-[1-[3-(m-tolyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione CAS Name: 3-ethyl-8-[1-[3-(3-methylphenyl)prop-2-ynyl]-4-pyrazolyl]-1-propyl-7H-purine-2,6-dione IUPAC Name: 3-ethyl-8-[1-[3-(3-methylphenyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-dione Traditional Name: 3-ethyl-8-[1-[3-(m-tolyl)prop-2-ynyl]pyrazol-4-yl]-1-propyl-7H-purine-2,6-quinone Formula: C23H24N6O2 MolecularWeight: 416.47566

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC#CC4=CC(=CC=C4)C)N(C1=O)CC

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C3=CN(N=C3)CC#CC4=CC(=CC=C4)C)N(C1=O)CC

InChI

InChI=1S/C23H24N6O2/c1-4-11-29-22(30)19-21(28(5-2)23(29)31)26-20(25-19)18-14-24-27(15-18)12-7-10-17-9-6-8-16(3)13-17/h6,8-9,13-15H,4-5,11-12H2,1-3H3,(H,25,26)