1,3-dimethyl-7-(2-oxidanylidene-4-piperidin-1-yl-butyl)-6-sulfanylidene-purin-2-one hydrochloride

Systemtic Name: 1,3-dimethyl-7-(2-oxidanylidene-4-piperidin-1-yl-butyl)-6-sulfanylidene-purin-2-one hydrochloride Openeye Name: 1,3-dimethyl-7-[2-oxo-4-(1-piperidyl)butyl]-6-thioxo-purin-2-one hydrochloride CAS Name: 1,3-dimethyl-7-[2-oxo-4-(1-piperidinyl)butyl]-6-sulfanylidene-2-purinone hydrochloride IUPAC Name: 1,3-dimethyl-7-(2-oxo-4-piperidin-1-ylbutyl)-6-sulfanylidenepurin-2-one hydrochloride Traditional Name: 7-(2-keto-4-piperidino-butyl)-1,3-dimethyl-6-thioxo-purin-2-one hydrochloride Formula: C16H24ClN5O2S MolecularWeight: 385.91206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=S)N(C1=O)C)N(C=N2)CC(=O)CCN3CCCCC3.Cl

Isomeric SMILES

CN1C2=C(C(=S)N(C1=O)C)N(C=N2)CC(=O)CCN3CCCCC3.Cl

InChI

InChI=1S/C16H23N5O2S.ClH/c1-18-14-13(15(24)19(2)16(18)23)21(11-17-14)10-12(22)6-9-20-7-4-3-5-8-20;/h11H,3-10H2,1-2H3;1H