2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide

Systemtic Name: 2-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-[1-(phenylmethyl)pyrrolidin-3-yl]ethanamide Openeye Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-benzylpyrrolidin-3-yl)acetamide CAS Name: 2-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-N-[1-(phenylmethyl)-3-pyrrolidinyl]acetamide IUPAC Name: 2-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(1-benzylpyrrolidin-3-yl)acetamide Traditional Name: 2-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-N-(1-benzylpyrrolidin-3-yl)acetamide Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)CSC2=NC(=C3C=CSC3=N2)N)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC1NC(=O)CSC2=NC(=C3C=CSC3=N2)N)CC4=CC=CC=C4

InChI

InChI=1S/C19H21N5OS2/c20-17-15-7-9-26-18(15)23-19(22-17)27-12-16(25)21-14-6-8-24(11-14)10-13-4-2-1-3-5-13/h1-5,7,9,14H,6,8,10-12H2,(H,21,25)(H2,20,22,23)