(1-azanyl-1-oxidanylidene-propan-2-yl) 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C14H19N5O5 MolecularWeight: 337.33116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C(=O)N)OC(=O)CCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H19N5O5/c1-8(11(15)21)24-9(20)5-4-6-19-7-16-12-10(19)13(22)18(3)14(23)17(12)2/h7-8H,4-6H2,1-3H3,(H2,15,21)