2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3,7-dihydropurin-6-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3,7-dihydropurin-6-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3,7-dihydropurin-6-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3,7-dihydropurin-6-one IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3,7-dihydropurin-6-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3,7-dihydropurin-6-one Formula: C12H15N5O2S MolecularWeight: 293.3448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C12H15N5O2S/c18-8(17-4-2-1-3-5-17)6-20-12-15-10-9(11(19)16-12)13-7-14-10/h7H,1-6H2,(H2,13,14,15,16,19)