3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]propyl ethanoate

Systemtic Name: 3-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]propyl ethanoate Openeye Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propyl acetate CAS Name: acetic acid 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propyl ester IUPAC Name: 3-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]propyl acetate Traditional Name: acetic acid 3-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]propyl ester Formula: C12H17N5O4 MolecularWeight: 295.29448

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(=O)OCCCNC1=NC2=C(N1)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H17N5O4/c1-7(18)21-6-4-5-13-11-14-8-9(15-11)16(2)12(20)17(3)10(8)19/h4-6H2,1-3H3,(H2,13,14,15)