methyl (2R)-2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate

Systemtic Name: methyl (2R)-2-[3-methyl-7-(3-methylbutyl)-2,6-bis(oxidanylidene)purin-8-yl]sulfanylpropanoate Openeye Name: methyl (2R)-2-(7-isopentyl-3-methyl-2,6-dioxo-purin-8-yl)sulfanylpropanoate CAS Name: (2R)-2-[[3-methyl-7-(3-methylbutyl)-2,6-dioxo-8-purinyl]thio]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-methyl-7-(3-methylbutyl)-2,6-dioxopurin-8-yl]sulfanylpropanoate Traditional Name: (2R)-2-[(7-isoamyl-2,6-diketo-3-methyl-purin-8-yl)thio]propionic acid methyl ester Formula: C15H22N4O4S MolecularWeight: 354.42458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1SC(C)C(=O)OC)N(C(=O)NC2=O)C

Isomeric SMILES

C[C@H](C(=O)OC)SC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H22N4O4S/c1-8(2)6-7-19-10-11(18(4)14(22)17-12(10)20)16-15(19)24-9(3)13(21)23-5/h8-9H,6-7H2,1-5H3,(H,17,20,22)/t9-/m1/s1