6-methylsulfanyl-8-(1-methylsulfonylpiperidin-4-yl)-3-propyl-7H-purin-2-one

Systemtic Name: 6-methylsulfanyl-8-(1-methylsulfonylpiperidin-4-yl)-3-propyl-7H-purin-2-one Openeye Name: 6-methylsulfanyl-8-(1-methylsulfonyl-4-piperidyl)-3-propyl-7H-purin-2-one CAS Name: 8-(1-methylsulfonyl-4-piperidinyl)-6-(methylthio)-3-propyl-7H-purin-2-one IUPAC Name: 6-methylsulfanyl-8-(1-methylsulfonylpiperidin-4-yl)-3-propyl-7H-purin-2-one Traditional Name: 8-(1-mesyl-4-piperidyl)-6-(methylthio)-3-propyl-7H-purin-2-one Formula: C15H23N5O3S2 MolecularWeight: 385.50482

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCCN1C2=C(C(=NC1=O)SC)NC(=N2)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C15H23N5O3S2/c1-4-7-20-13-11(14(24-2)18-15(20)21)16-12(17-13)10-5-8-19(9-6-10)25(3,22)23/h10H,4-9H2,1-3H3,(H,16,17)