1-[6-oxidanylidene-7-(phenylmethyl)-3,8-dihydropurin-9-yl]butyl ethanoate

Systemtic Name: 1-[6-oxidanylidene-7-(phenylmethyl)-3,8-dihydropurin-9-yl]butyl ethanoate Openeye Name: 1-(7-benzyl-6-oxo-3,8-dihydropurin-9-yl)butyl acetate CAS Name: acetic acid 1-[6-oxo-7-(phenylmethyl)-3,8-dihydropurin-9-yl]butyl ester IUPAC Name: 1-(7-benzyl-6-oxo-3,8-dihydropurin-9-yl)butyl acetate Traditional Name: acetic acid 1-(7-benzyl-6-keto-3,8-dihydropurin-9-yl)butyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1CN(C2=C1NC=NC2=O)CC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCCC(N1CN(C2=C1NC=NC2=O)CC3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C18H22N4O3/c1-3-7-15(25-13(2)23)22-12-21(10-14-8-5-4-6-9-14)16-17(22)19-11-20-18(16)24/h4-6,8-9,11,15H,3,7,10,12H2,1-2H3,(H,19,20,24)