propan-2-yl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-1-oxoethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)acetyl]amino]-4-(methylthio)butyric acid isopropyl ester Formula: C17H25N5O5S MolecularWeight: 411.4759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C17H25N5O5S/c1-10(2)27-16(25)11(6-7-28-5)19-12(23)8-22-9-18-14-13(22)15(24)21(4)17(26)20(14)3/h9-11H,6-8H2,1-5H3,(H,19,23)