naphthalen-2-yl 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate

Systemtic Name: naphthalen-2-yl 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]propanoate Openeye Name: 2-naphthyl 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)propanoate CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]propanoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]propanoate Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)propionic acid 2-naphthyl ester Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC3=CC4=CC=CC=C4C=C3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)OC3=CC4=CC=CC=C4C=C3)CC(C)C

InChI

InChI=1S/C26H30N4O4/c1-4-5-14-29-24-23(25(32)28-26(29)33)30(16-17(2)3)21(27-24)12-13-22(31)34-20-11-10-18-8-6-7-9-19(18)15-20/h6-11,15,17H,4-5,12-14,16H2,1-3H3,(H,28,32,33)