(2S)-2-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-3-(1-prop-2-ynylimidazol-4-yl)propan-1-ol

Systemtic Name: (2S)-2-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-3-(1-prop-2-ynylimidazol-4-yl)propan-1-ol Openeye Name: (2S)-2-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]-3-(1-prop-2-ynylimidazol-4-yl)propan-1-ol CAS Name: (2S)-2-[[4-(1-benzothiophen-2-yl)-2-pyrimidinyl]amino]-3-(1-prop-2-ynyl-4-imidazolyl)-1-propanol IUPAC Name: (2S)-2-[[4-(1-benzothiophen-2-yl)pyrimidin-2-yl]amino]-3-(1-prop-2-ynylimidazol-4-yl)propan-1-ol Traditional Name: (2S)-2-[[4-(benzothiophen-2-yl)pyrimidin-2-yl]amino]-3-(1-propargylimidazol-4-yl)propan-1-ol Formula: C21H19N5OS MolecularWeight: 389.47346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(N=C1)CC(CO)NC2=NC=CC(=N2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C#CCN1C=C(N=C1)C[C@@H](CO)NC2=NC=CC(=N2)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N5OS/c1-2-9-26-12-16(23-14-26)11-17(13-27)24-21-22-8-7-18(25-21)20-10-15-5-3-4-6-19(15)28-20/h1,3-8,10,12,14,17,27H,9,11,13H2,(H,22,24,25)/t17-/m0/s1