3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 3-(3-methyl-2-oxidanylidene-benzimidazol-1-yl)propanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 3-(3-methyl-2-oxo-benzimidazol-1-yl)propanoate CAS Name: 3-(3-methyl-2-oxo-1-benzimidazolyl)propanoic 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-(3-methyl-2-oxobenzimidazol-1-yl)propanoate Traditional Name: 3-(2-keto-3-methyl-benzimidazol-1-yl)propionic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C21H24N6O5 MolecularWeight: 440.45246

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CCN3C4=CC=CC=C4N(C3=O)C

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)CCN3C4=CC=CC=C4N(C3=O)C

InChI

InChI=1S/C21H24N6O5/c1-23-13-22-18-17(23)19(29)27(21(31)25(18)3)10-6-12-32-16(28)9-11-26-15-8-5-4-7-14(15)24(2)20(26)30/h4-5,7-8,13H,6,9-12H2,1-3H3