ethyl 2-[8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-2,6-dihydropurin-3-yl]ethanoate

Systemtic Name: ethyl 2-[8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-2,6-dihydropurin-3-yl]ethanoate Openeye Name: ethyl 2-[8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-2,6-dihydropurin-3-yl]acetate CAS Name: 2-[8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-2,6-dihydropurin-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-prop-2-ynyl-2,6-dihydropurin-3-yl]acetate Traditional Name: 2-[8-[2-(3,4-dimethoxyphenyl)ethynyl]-7-methyl-1-propargyl-2,6-dihydropurin-3-yl]acetic acid ethyl ester Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CN(CC2=C1N=C(N2C)C#CC3=CC(=C(C=C3)OC)OC)CC#C

Isomeric SMILES

CCOC(=O)CN1CN(CC2=C1N=C(N2C)C#CC3=CC(=C(C=C3)OC)OC)CC#C

InChI

InChI=1S/C23H26N4O4/c1-6-12-26-14-18-23(27(16-26)15-22(28)31-7-2)24-21(25(18)3)11-9-17-8-10-19(29-4)20(13-17)30-5/h1,8,10,13H,7,12,14-16H2,2-5H3