tert-butyl 4-(6-methylsulfanyl-2-oxidanylidene-3-propyl-purin-7-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-methylsulfanyl-2-oxidanylidene-3-propyl-purin-7-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 4-(6-methylsulfanyl-2-oxo-3-propyl-purin-7-yl)piperidine-1-carboxylate CAS Name: 4-[6-(methylthio)-2-oxo-3-propyl-7-purinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-methylsulfanyl-2-oxo-3-propylpurin-7-yl)piperidine-1-carboxylate Traditional Name: 4-[2-keto-6-(methylthio)-3-propyl-purin-7-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H29N5O3S MolecularWeight: 407.53026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)N(C=N2)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)N(C=N2)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H29N5O3S/c1-6-9-23-15-14(16(28-5)21-17(23)25)24(12-20-15)13-7-10-22(11-8-13)18(26)27-19(2,3)4/h12-13H,6-11H2,1-5H3