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

Systemtic Name: ethyl 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(3-phenylpropyl)purin-8-yl]sulfanylethanoate Openeye Name: ethyl 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)-8-purinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-dimethyl-2,6-dioxo-7-(3-phenylpropyl)purin-8-yl]sulfanylacetate Traditional Name: 2-[[2,6-diketo-1,3-dimethyl-7-(3-phenylpropyl)purin-8-yl]thio]acetic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H24N4O4S/c1-4-28-15(25)13-29-19-21-17-16(18(26)23(3)20(27)22(17)2)24(19)12-8-11-14-9-6-5-7-10-14/h5-7,9-10H,4,8,11-13H2,1-3H3