3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCCCN4C(=O)C5=C(N=CN5C)N(C4=O)C

InChI

InChI=1S/C27H25N5O4/c1-17-21(19-12-7-8-13-20(19)29-22(17)18-10-5-4-6-11-18)26(34)36-15-9-14-32-25(33)23-24(28-16-30(23)2)31(3)27(32)35/h4-8,10-13,16H,9,14-15H2,1-3H3