[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: (3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methyl 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid (3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid (3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methyl ester Formula: C25H29N5O4 MolecularWeight: 463.52886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C(=NC4=CC=CC=C43)CC)C)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=C(C(=NC4=CC=CC=C43)CC)C)CC

InChI

InChI=1S/C25H29N5O4/c1-5-8-13-30-22-21(23(31)28-25(30)33)29(7-3)19(27-22)14-34-24(32)20-15(4)17(6-2)26-18-12-10-9-11-16(18)20/h9-12H,5-8,13-14H2,1-4H3,(H,28,31,33)