[2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate

Systemtic Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxidanylidene-ethyl] 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate Openeye Name: [2-(3-methylbenzofuran-2-yl)-2-oxo-ethyl] 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoate CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanoic acid [2-(3-methyl-2-benzofuranyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-1-benzofuran-2-yl)-2-oxoethyl] 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoate Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionic acid [2-keto-2-(3-methylbenzofuran-2-yl)ethyl] ester Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)COC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C20H18N4O5/c1-12-13-5-3-4-6-16(13)29-18(12)15(25)10-28-17(26)7-8-24-11-21-19-14(20(24)27)9-22-23(19)2/h3-6,9,11H,7-8,10H2,1-2H3