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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-methyl-6-phenyl-pyridine-3-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-methyl-6-phenyl-pyridine-3-carboxylate CAS Name: 2-methyl-6-phenyl-3-pyridinecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-methyl-6-phenylpyridine-3-carboxylate Traditional Name: 2-methyl-6-phenyl-nicotinic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

Isomeric SMILES

CC1=C(C=CC(=N1)C2=CC=CC=C2)C(=O)OCCCN3C(=O)C4=C(N=CN4C)N(C3=O)C

InChI

InChI=1S/C23H23N5O4/c1-15-17(10-11-18(25-15)16-8-5-4-6-9-16)22(30)32-13-7-12-28-21(29)19-20(24-14-26(19)2)27(3)23(28)31/h4-6,8-11,14H,7,12-13H2,1-3H3