4-[7-methyl-2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-yl]benzoic acid

Systemtic Name: 4-[7-methyl-2,6-bis(oxidanylidene)-1,3-dipropyl-purin-8-yl]benzoic acid Openeye Name: 4-(7-methyl-2,6-dioxo-1,3-dipropyl-purin-8-yl)benzoic acid CAS Name: 4-(7-methyl-2,6-dioxo-1,3-dipropyl-8-purinyl)benzoic acid IUPAC Name: 4-(7-methyl-2,6-dioxo-1,3-dipropylpurin-8-yl)benzoic acid Traditional Name: 4-(2,6-diketo-7-methyl-1,3-dipropyl-purin-8-yl)benzoic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC=C(C=C3)C(=O)O)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CC=C(C=C3)C(=O)O)C

InChI

InChI=1S/C19H22N4O4/c1-4-10-22-16-14(17(24)23(11-5-2)19(22)27)21(3)15(20-16)12-6-8-13(9-7-12)18(25)26/h6-9H,4-5,10-11H2,1-3H3,(H,25,26)