3-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-(4-azanylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-[4-(2-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(4-amino-2-thieno[2,3-d]pyrimidinyl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-aminothieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[(4-aminothieno[2,3-d]pyrimidin-2-yl)thio]-1-[4-(2-pyridyl)piperazino]propan-1-one Formula: C18H20N6OS2 MolecularWeight: 400.521

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)CCSC3=NC(=C4C=CSC4=N3)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)CCSC3=NC(=C4C=CSC4=N3)N

InChI

InChI=1S/C18H20N6OS2/c19-16-13-4-11-26-17(13)22-18(21-16)27-12-5-15(25)24-9-7-23(8-10-24)14-3-1-2-6-20-14/h1-4,6,11H,5,7-10,12H2,(H2,19,21,22)