1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(pyrimidin-2-ylamino)ethyl]urea

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(pyrimidin-2-ylamino)ethyl]urea Openeye Name: 1-[2-(pyrimidin-2-ylamino)ethyl]-3-thiochroman-4-yl-urea CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-[2-(2-pyrimidinylamino)ethyl]urea IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-3-[2-(pyrimidin-2-ylamino)ethyl]urea Traditional Name: 1-[2-(2-pyrimidylamino)ethyl]-3-thiochroman-4-yl-urea Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)NCCNC3=NC=CC=N3

Isomeric SMILES

C1CSC2=CC=CC=C2C1NC(=O)NCCNC3=NC=CC=N3

InChI

InChI=1S/C16H19N5OS/c22-16(20-10-9-19-15-17-7-3-8-18-15)21-13-6-11-23-14-5-2-1-4-12(13)14/h1-5,7-8,13H,6,9-11H2,(H,17,18,19)(H2,20,21,22)