5-(4-chlorophenyl)-1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-8-yl]pyrazole-3-carboxylic acid

Systemtic Name: 5-(4-chlorophenyl)-1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)-4,5-dihydropurin-8-yl]pyrazole-3-carboxylic acid Openeye Name: 5-(4-chlorophenyl)-1-(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)pyrazole-3-carboxylic acid CAS Name: 5-(4-chlorophenyl)-1-(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)-3-pyrazolecarboxylic acid IUPAC Name: 5-(4-chlorophenyl)-1-(1,3,7-trimethyl-2,6-dioxo-4,5-dihydropurin-8-yl)pyrazole-3-carboxylic acid Traditional Name: 5-(4-chlorophenyl)-1-(2,6-diketo-1,3,7-trimethyl-4,5-dihydropurin-8-yl)pyrazole-3-carboxylic acid Formula: C18H17ClN6O4 MolecularWeight: 416.81838

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2C(N=C1N3C(=CC(=N3)C(=O)O)C4=CC=C(C=C4)Cl)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2C(N=C1N3C(=CC(=N3)C(=O)O)C4=CC=C(C=C4)Cl)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C18H17ClN6O4/c1-22-13-14(23(2)18(29)24(3)15(13)26)20-17(22)25-12(8-11(21-25)16(27)28)9-4-6-10(19)7-5-9/h4-8,13-14H,1-3H3,(H,27,28)