1,3-dimethyl-7-prop-2-ynyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-prop-2-ynyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-prop-2-ynyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-prop-2-ynyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-prop-2-ynyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-propargyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)vinyl]xanthine Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C=CC3=CC(=C(C(=C3)OC)OC)OC)CC#C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)CC#C

InChI

InChI=1S/C21H22N4O5/c1-7-10-25-16(22-19-17(25)20(26)24(3)21(27)23(19)2)9-8-13-11-14(28-4)18(30-6)15(12-13)29-5/h1,8-9,11-12H,10H2,2-6H3/b9-8+