4-(1-benzothiophen-2-yl)-N-[(2S)-1-(1H-imidazol-5-yl)-3-prop-2-ynoxy-propan-2-yl]pyrimidin-2-amine

Systemtic Name: 4-(1-benzothiophen-2-yl)-N-[(2S)-1-(1H-imidazol-5-yl)-3-prop-2-ynoxy-propan-2-yl]pyrimidin-2-amine Openeye Name: 4-(benzothiophen-2-yl)-N-[(1S)-1-(1H-imidazol-5-ylmethyl)-2-prop-2-ynoxy-ethyl]pyrimidin-2-amine CAS Name: 4-(1-benzothiophen-2-yl)-N-[(2S)-1-(1H-imidazol-5-yl)-3-prop-2-ynoxypropan-2-yl]-2-pyrimidinamine IUPAC Name: 4-(1-benzothiophen-2-yl)-N-[(2S)-1-(1H-imidazol-5-yl)-3-prop-2-ynoxypropan-2-yl]pyrimidin-2-amine Traditional Name: [4-(benzothiophen-2-yl)pyrimidin-2-yl]-[(1S)-1-(1H-imidazol-5-ylmethyl)-2-propargyloxy-ethyl]amine Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOCC(CC1=CN=CN1)NC2=NC=CC(=N2)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C#CCOC[C@H](CC1=CN=CN1)NC2=NC=CC(=N2)C3=CC4=CC=CC=C4S3

InChI

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