1-ethyl-3-[6-[6-[[(2S)-1-oxidanylbutan-2-yl]amino]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-[6-[[(2S)-1-oxidanylbutan-2-yl]amino]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea Openeye Name: 1-ethyl-3-[6-[6-[[(1S)-1-(hydroxymethyl)propyl]amino]-3-pyridyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea CAS Name: 1-ethyl-3-[6-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-3-pyridinyl]-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]urea IUPAC Name: 1-ethyl-3-[6-[6-[[(2S)-1-hydroxybutan-2-yl]amino]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea Traditional Name: 1-ethyl-3-[6-[6-[[(1S)-1-methylolpropyl]amino]-3-pyridyl]-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]urea Formula: C23H26N8O2 MolecularWeight: 446.50494

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC=C(C=C1)C2=CC(=C3C(=C2)NC(=N3)NC(=O)NCC)C4=NC=CC=N4

Isomeric SMILES

CC[C@@H](CO)NC1=NC=C(C=C1)C2=CC(=C3C(=C2)NC(=N3)NC(=O)NCC)C4=NC=CC=N4

InChI

InChI=1S/C23H26N8O2/c1-3-16(13-32)28-19-7-6-14(12-27-19)15-10-17(21-25-8-5-9-26-21)20-18(11-15)29-22(30-20)31-23(33)24-4-2/h5-12,16,32H,3-4,13H2,1-2H3,(H,27,28)(H3,24,29,30,31,33)/t16-/m0/s1