methyl 3-[8-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: methyl 3-[8-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: methyl 3-(8-amino-1,3-dimethyl-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-(8-amino-1,3-dimethyl-2,6-dioxo-7-purinyl)propanoic acid methyl ester IUPAC Name: methyl 3-(8-amino-1,3-dimethyl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(8-amino-2,6-diketo-1,3-dimethyl-purin-7-yl)propionic acid methyl ester Formula: C11H15N5O4 MolecularWeight: 281.2679

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CCC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)CCC(=O)OC

InChI

InChI=1S/C11H15N5O4/c1-14-8-7(9(18)15(2)11(14)19)16(10(12)13-8)5-4-6(17)20-3/h4-5H2,1-3H3,(H2,12,13)