N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyrimidin-2-ylamino)propanamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyrimidin-2-ylamino)propanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-3-(pyrimidin-2-ylamino)propanamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(2-pyrimidinylamino)propanamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-3-(pyrimidin-2-ylamino)propanamide Traditional Name: N-(6-chlorothiochroman-4-yl)-3-(2-pyrimidylamino)propionamide Formula: C16H17ClN4OS MolecularWeight: 348.85038

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCNC3=NC=CC=N3)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCNC3=NC=CC=N3)C=C(C=C2)Cl

InChI

InChI=1S/C16H17ClN4OS/c17-11-2-3-14-12(10-11)13(5-9-23-14)21-15(22)4-8-20-16-18-6-1-7-19-16/h1-3,6-7,10,13H,4-5,8-9H2,(H,21,22)(H,18,19,20)