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

Systemtic Name: (2-azanyl-6-oxidanylidene-1-propanoyl-7,8-dihydropurin-9-yl)methyl propanoate; oxetane Openeye Name: (2-amino-6-oxo-1-propanoyl-7,8-dihydropurin-9-yl)methyl propanoate; oxetane CAS Name: oxetane; 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; oxetane Traditional Name: oxetane; propionic acid (2-amino-6-keto-1-propionyl-7,8-dihydropurin-9-yl)methyl ester Formula: C15H23N5O5 MolecularWeight: 353.37362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=O)C2=C(N=C1N)N(CN2)COC(=O)CC.C1COC1

Isomeric SMILES

CCC(=O)N1C(=O)C2=C(N=C1N)N(CN2)COC(=O)CC.C1COC1

InChI

InChI=1S/C12H17N5O4.C3H6O/c1-3-7(18)17-11(20)9-10(15-12(17)13)16(5-14-9)6-21-8(19)4-2;1-2-4-3-1/h14H,3-6H2,1-2H3,(H2,13,15);1-3H2