methyl 6-[3,7-dimethyl-2,6-bis(oxidanylidene)-1-prop-2-ynyl-purin-8-yl]naphthalene-2-carboxylate

Systemtic Name: methyl 6-[3,7-dimethyl-2,6-bis(oxidanylidene)-1-prop-2-ynyl-purin-8-yl]naphthalene-2-carboxylate Openeye Name: methyl 6-(3,7-dimethyl-2,6-dioxo-1-prop-2-ynyl-purin-8-yl)naphthalene-2-carboxylate CAS Name: 6-(3,7-dimethyl-2,6-dioxo-1-prop-2-ynyl-8-purinyl)-2-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 6-(3,7-dimethyl-2,6-dioxo-1-prop-2-ynylpurin-8-yl)naphthalene-2-carboxylate Traditional Name: 6-(2,6-diketo-3,7-dimethyl-1-propargyl-purin-8-yl)naphthalene-2-carboxylic acid methyl ester Formula: C22H18N4O4 MolecularWeight: 402.40272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC4=C(C=C3)C=C(C=C4)C(=O)OC)N(C(=O)N(C2=O)CC#C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC4=C(C=C3)C=C(C=C4)C(=O)OC)N(C(=O)N(C2=O)CC#C)C

InChI

InChI=1S/C22H18N4O4/c1-5-10-26-20(27)17-19(25(3)22(26)29)23-18(24(17)2)15-8-6-14-12-16(21(28)30-4)9-7-13(14)11-15/h1,6-9,11-12H,10H2,2-4H3