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

Systemtic Name: ethyl 2-[3,7-dimethyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-(1-benzyl-3,7-dimethyl-2,6-dioxo-purin-8-yl)sulfanylacetate CAS Name: 2-[[3,7-dimethyl-2,6-dioxo-1-(phenylmethyl)-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-(1-benzyl-3,7-dimethyl-2,6-dioxopurin-8-yl)sulfanylacetate Traditional Name: 2-[(1-benzyl-2,6-diketo-3,7-dimethyl-purin-8-yl)thio]acetic acid ethyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N4O4S/c1-4-26-13(23)11-27-17-19-15-14(20(17)2)16(24)22(18(25)21(15)3)10-12-8-6-5-7-9-12/h5-9H,4,10-11H2,1-3H3