4-oxidanylidene-N-[2-(pyrimidin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-[2-(pyrimidin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-(2-pyrimidinylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-(2-pyrimidylamino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCNC3=NC=CC=N3)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCNC3=NC=CC=N3)NC1=O

InChI

InChI=1S/C16H17N5O2S/c22-14-4-9-24-13-3-2-11(10-12(13)21-14)15(23)17-7-8-20-16-18-5-1-6-19-16/h1-3,5-6,10H,4,7-9H2,(H,17,23)(H,21,22)(H,18,19,20)