N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrimidin-2-ylamino)butanamide

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrimidin-2-ylamino)butanamide Openeye Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrimidin-2-ylamino)butanamide CAS Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(2-pyrimidinylamino)butanamide IUPAC Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrimidin-2-ylamino)butanamide Traditional Name: N-[3-(1,3-dithian-2-yl)phenyl]-4-(2-pyrimidylamino)butyramide Formula: C18H22N4OS2 MolecularWeight: 374.52348

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)CCCNC3=NC=CC=N3

Isomeric SMILES

C1CSC(SC1)C2=CC(=CC=C2)NC(=O)CCCNC3=NC=CC=N3

InChI

InChI=1S/C18H22N4OS2/c23-16(7-2-8-19-18-20-9-3-10-21-18)22-15-6-1-5-14(13-15)17-24-11-4-12-25-17/h1,3,5-6,9-10,13,17H,2,4,7-8,11-12H2,(H,22,23)(H,19,20,21)