3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C20H22N4O4/c1-22-12-21-17-16(22)18(25)24(20(27)23(17)2)9-4-10-28-19(26)15-8-7-13-5-3-6-14(13)11-15/h7-8,11-12H,3-6,9-10H2,1-2H3