3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl pentanoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl pentanoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl pentanoate CAS Name: pentanoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl pentanoate Traditional Name: valeric acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C15H22N4O4 MolecularWeight: 322.35958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCC(=O)OCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C15H22N4O4/c1-4-5-7-11(20)23-9-6-8-19-14(21)12-13(16-10-17(12)2)18(3)15(19)22/h10H,4-9H2,1-3H3