(2-azanyl-6-oxidanylidene-1-propanoyl-7,8-dihydropurin-9-yl)methyl propanoate

Systemtic Name: (2-azanyl-6-oxidanylidene-1-propanoyl-7,8-dihydropurin-9-yl)methyl propanoate Openeye Name: (2-amino-6-oxo-1-propanoyl-7,8-dihydropurin-9-yl)methyl propanoate CAS Name: propanoic acid [2-amino-6-oxo-1-(1-oxopropyl)-7,8-dihydropurin-9-yl]methyl ester IUPAC Name: (2-amino-6-oxo-1-propanoyl-7,8-dihydropurin-9-yl)methyl propanoate Traditional Name: propionic acid (2-amino-6-keto-1-propionyl-7,8-dihydropurin-9-yl)methyl ester Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=O)C2=C(N=C1N)N(CN2)COC(=O)CC

Isomeric SMILES

CCC(=O)N1C(=O)C2=C(N=C1N)N(CN2)COC(=O)CC

InChI

InChI=1S/C12H17N5O4/c1-3-7(18)17-11(20)9-10(15-12(17)13)16(5-14-9)6-21-8(19)4-2/h14H,3-6H2,1-2H3,(H2,13,15)