ethyl 4-[8-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate

Systemtic Name: ethyl 4-[8-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]butanoate Openeye Name: ethyl 4-(8-amino-1,3-dimethyl-2,6-dioxo-purin-7-yl)butanoate CAS Name: 4-(8-amino-1,3-dimethyl-2,6-dioxo-7-purinyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(8-amino-1,3-dimethyl-2,6-dioxopurin-7-yl)butanoate Traditional Name: 4-(8-amino-2,6-diketo-1,3-dimethyl-purin-7-yl)butyric acid ethyl ester Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C2=C(N=C1N)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCOC(=O)CCCN1C2=C(N=C1N)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C13H19N5O4/c1-4-22-8(19)6-5-7-18-9-10(15-12(18)14)16(2)13(21)17(3)11(9)20/h4-7H2,1-3H3,(H2,14,15)