6-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]naphthalene-2-carboxylic acid

Systemtic Name: 6-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]naphthalene-2-carboxylic acid Openeye Name: 6-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)naphthalene-2-carboxylic acid CAS Name: 6-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)-2-naphthalenecarboxylic acid IUPAC Name: 6-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)naphthalene-2-carboxylic acid Traditional Name: 6-(2,6-diketo-1-propyl-3,7-dihydropurin-8-yl)-2-naphthoic acid Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC4=C(C=C3)C=C(C=C4)C(=O)O

InChI

InChI=1S/C19H16N4O4/c1-2-7-23-17(24)14-16(22-19(23)27)21-15(20-14)12-5-3-11-9-13(18(25)26)6-4-10(11)8-12/h3-6,8-9H,2,7H2,1H3,(H,20,21)(H,22,27)(H,25,26)