ethyl 4-(6-azanyl-1-methyl-2-oxidanylidene-purin-7-yl)butanoate

Systemtic Name: ethyl 4-(6-azanyl-1-methyl-2-oxidanylidene-purin-7-yl)butanoate Openeye Name: ethyl 4-(6-amino-1-methyl-2-oxo-purin-7-yl)butanoate CAS Name: 4-(6-amino-1-methyl-2-oxo-7-purinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(6-amino-1-methyl-2-oxopurin-7-yl)butanoate Traditional Name: 4-(6-amino-2-keto-1-methyl-purin-7-yl)butyric acid ethyl ester Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=NC2=NC(=O)N(C(=C21)N)C

Isomeric SMILES

CCOC(=O)CCCN1C=NC2=NC(=O)N(C(=C21)N)C

InChI

InChI=1S/C12H17N5O3/c1-3-20-8(18)5-4-6-17-7-14-11-9(17)10(13)16(2)12(19)15-11/h7H,3-6,13H2,1-2H3