(phenylmethyl) N-[[4-(6-methylsulfanyl-2-oxidanylidene-3-propyl-purin-7-yl)cyclohexyl]methyl]carbamate

Systemtic Name: (phenylmethyl) N-[[4-(6-methylsulfanyl-2-oxidanylidene-3-propyl-purin-7-yl)cyclohexyl]methyl]carbamate Openeye Name: benzyl N-[[4-(6-methylsulfanyl-2-oxo-3-propyl-purin-7-yl)cyclohexyl]methyl]carbamate CAS Name: N-[[4-[6-(methylthio)-2-oxo-3-propyl-7-purinyl]cyclohexyl]methyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[[4-(6-methylsulfanyl-2-oxo-3-propylpurin-7-yl)cyclohexyl]methyl]carbamate Traditional Name: N-[[4-[2-keto-6-(methylthio)-3-propyl-purin-7-yl]cyclohexyl]methyl]carbamic acid benzyl ester Formula: C24H31N5O3S MolecularWeight: 469.59964

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)N(C=N2)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)N(C=N2)C3CCC(CC3)CNC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H31N5O3S/c1-3-13-28-21-20(22(33-2)27-23(28)30)29(16-26-21)19-11-9-17(10-12-19)14-25-24(31)32-15-18-7-5-4-6-8-18/h4-8,16-17,19H,3,9-15H2,1-2H3,(H,25,31)