N-[1-[2-oxidanylidene-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[1-[2-oxidanylidene-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[1-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenylsulfanyl-acetamide CAS Name: N-[1-[2-oxo-2-[4-(2-pyrimidinyl)-1,4-diazepan-1-yl]ethyl]-4-pyrazolyl]-2-(phenylthio)acetamide IUPAC Name: N-[1-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]pyrazol-4-yl]-2-phenylsulfanylacetamide Traditional Name: N-[1-[2-keto-2-[4-(2-pyrimidyl)-1,4-diazepan-1-yl]ethyl]pyrazol-4-yl]-2-(phenylthio)acetamide Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CN2C=C(C=N2)NC(=O)CSC3=CC=CC=C3)C4=NC=CC=N4

InChI

InChI=1S/C22H25N7O2S/c30-20(17-32-19-6-2-1-3-7-19)26-18-14-25-29(15-18)16-21(31)27-10-5-11-28(13-12-27)22-23-8-4-9-24-22/h1-4,6-9,14-15H,5,10-13,16-17H2,(H,26,30)