4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butyl ethanoate

Systemtic Name: 4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]butyl ethanoate Openeye Name: 4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)butyl acetate CAS Name: acetic acid 4-(3,7-dimethyl-2,6-dioxo-1-purinyl)butyl ester IUPAC Name: 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)butyl acetate Traditional Name: acetic acid 4-(2,6-diketo-3,7-dimethyl-purin-1-yl)butyl ester Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CC(=O)OCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C13H18N4O4/c1-9(18)21-7-5-4-6-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8H,4-7H2,1-3H3