3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-naphthalen-2-ylethanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-naphthalen-2-ylethanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-(2-naphthyl)acetate CAS Name: 2-(2-naphthalenyl)acetic 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-naphthalen-2-ylacetate Traditional Name: 2-(2-naphthyl)acetic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H22N4O4/c1-24-14-23-20-19(24)21(28)26(22(29)25(20)2)10-5-11-30-18(27)13-15-8-9-16-6-3-4-7-17(16)12-15/h3-4,6-9,12,14H,5,10-11,13H2,1-2H3