ethyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanylpropanoate

Systemtic Name: ethyl 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanylpropanoate Openeye Name: ethyl 3-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: 3-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanylpropanoate Traditional Name: 3-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]propionic acid ethyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CCSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H22N4O4S/c1-4-27-14(24)10-11-28-18-20-16-15(17(25)22(3)19(26)21(16)2)23(18)12-13-8-6-5-7-9-13/h5-9H,4,10-12H2,1-3H3