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

Systemtic Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanamide Openeye Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide CAS Name: N-[(1,3-diphenyl-4-pyrazolyl)methyl]-3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanamide IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide Traditional Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionamide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C=NC4=C(C3=O)C=CS4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C=NC4=C(C3=O)C=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2S/c31-22(11-13-29-17-27-24-21(25(29)32)12-14-33-24)26-15-19-16-30(20-9-5-2-6-10-20)28-23(19)18-7-3-1-4-8-18/h1-10,12,14,16-17H,11,13,15H2,(H,26,31)