1-(dimethylamino)propan-2-yl 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoate

Systemtic Name: 1-(dimethylamino)propan-2-yl 3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)propanoate Openeye Name: [2-(dimethylamino)-1-methyl-ethyl] 3-(2-amino-6-oxo-3H-purin-9-yl)propanoate CAS Name: 3-(2-amino-6-oxo-3H-purin-9-yl)propanoic acid 1-(dimethylamino)propan-2-yl ester IUPAC Name: 1-(dimethylamino)propan-2-yl 3-(2-amino-6-oxo-3H-purin-9-yl)propanoate Traditional Name: 3-(2-amino-6-keto-3H-purin-9-yl)propionic acid [2-(dimethylamino)-1-methyl-ethyl] ester Formula: C13H20N6O3 MolecularWeight: 308.3363

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)OC(=O)CCN1C=NC2=C1NC(=NC2=O)N

Isomeric SMILES

CC(CN(C)C)OC(=O)CCN1C=NC2=C1NC(=NC2=O)N

InChI

InChI=1S/C13H20N6O3/c1-8(6-18(2)3)22-9(20)4-5-19-7-15-10-11(19)16-13(14)17-12(10)21/h7-8H,4-6H2,1-3H3,(H3,14,16,17,21)