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

Systemtic Name: 6-[3-methyl-2,6-bis(oxidanylidene)-1-prop-2-ynyl-7H-purin-8-yl]naphthalene-2-carboxylic acid Openeye Name: 6-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)naphthalene-2-carboxylic acid CAS Name: 6-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)-2-naphthalenecarboxylic acid IUPAC Name: 6-(3-methyl-2,6-dioxo-1-prop-2-ynyl-7H-purin-8-yl)naphthalene-2-carboxylic acid Traditional Name: 6-(2,6-diketo-3-methyl-1-propargyl-7H-purin-8-yl)-2-naphthoic acid Formula: C20H14N4O4 MolecularWeight: 374.34956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O4/c1-3-8-24-18(25)15-17(23(2)20(24)28)22-16(21-15)13-6-4-12-10-14(19(26)27)7-5-11(12)9-13/h1,4-7,9-10H,8H2,2H3,(H,21,22)(H,26,27)