3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide

Systemtic Name: 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide Openeye Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]propanamide CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)-N-[[2-(1-pyrazolyl)-4-pyridinyl]methyl]propanamide IUPAC Name: 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(2-pyrazol-1-ylpyridin-4-yl)methyl]propanamide Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)-N-[(2-pyrazol-1-yl-4-pyridyl)methyl]propionamide Formula: C18H16N6O2S MolecularWeight: 380.42364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=NC=CC(=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1=CN(N=C1)C2=NC=CC(=C2)CNC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C18H16N6O2S/c25-16(3-8-23-12-21-17-14(18(23)26)4-9-27-17)20-11-13-2-6-19-15(10-13)24-7-1-5-22-24/h1-2,4-7,9-10,12H,3,8,11H2,(H,20,25)