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

Systemtic Name: 8-[1-[3-(4-methoxyphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[1-[3-(4-methoxyphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[1-[3-(4-methoxyphenyl)prop-2-ynyl]-4-pyrazolyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[3-(4-methoxyphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[1-[3-(4-methoxyphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C20H18N6O3 MolecularWeight: 390.39532

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CN(N=C3)CC#CC4=CC=C(C=C4)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CN(N=C3)CC#CC4=CC=C(C=C4)OC

InChI

InChI=1S/C20H18N6O3/c1-24-18-16(19(27)25(2)20(24)28)22-17(23-18)14-11-21-26(12-14)10-4-5-13-6-8-15(29-3)9-7-13/h6-9,11-12H,10H2,1-3H3,(H,22,23)