(2S)-1-[4-(phenylmethyl)piperidin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propan-1-one

Systemtic Name: (2S)-1-[4-(phenylmethyl)piperidin-1-yl]-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propan-1-one Openeye Name: (2S)-1-(4-benzyl-1-piperidyl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanyl-propan-1-one CAS Name: (2S)-1-[4-(phenylmethyl)-1-piperidinyl]-2-(4-thieno[3,2-d]pyrimidinylthio)-1-propanone IUPAC Name: (2S)-1-(4-benzylpiperidin-1-yl)-2-thieno[3,2-d]pyrimidin-4-ylsulfanylpropan-1-one Traditional Name: (2S)-1-(4-benzylpiperidino)-2-(thieno[3,2-d]pyrimidin-4-ylthio)propan-1-one Formula: C21H23N3OS2 MolecularWeight: 397.55682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC=NC4=C3SC=C4

Isomeric SMILES

C[C@@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)SC3=NC=NC4=C3SC=C4

InChI

InChI=1S/C21H23N3OS2/c1-15(27-20-19-18(9-12-26-19)22-14-23-20)21(25)24-10-7-17(8-11-24)13-16-5-3-2-4-6-16/h2-6,9,12,14-15,17H,7-8,10-11,13H2,1H3/t15-/m0/s1