N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidinyl]-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C19H20N4OS2 MolecularWeight: 384.5183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CSC2=NC=NC3=C2C=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C[C@H]1NC(=O)CSC2=NC=NC3=C2C=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C19H20N4OS2/c24-17(12-26-19-16-7-9-25-18(16)20-13-21-19)22-15-6-8-23(11-15)10-14-4-2-1-3-5-14/h1-5,7,9,13,15H,6,8,10-12H2,(H,22,24)/t15-/m0/s1