1-ethyl-3-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea

Systemtic Name: 1-ethyl-3-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea Openeye Name: 1-ethyl-3-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-3-pyridyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea CAS Name: 1-ethyl-3-[6-[6-[(4-methylsulfonyl-1-piperazinyl)methyl]-3-pyridinyl]-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]urea IUPAC Name: 1-ethyl-3-[6-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]urea Traditional Name: 1-ethyl-3-[6-[6-[(4-mesylpiperazino)methyl]-3-pyridyl]-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]urea Formula: C25H29N9O3S MolecularWeight: 535.62126

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(CC4)S(=O)(=O)C)C5=NC=CC=N5

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(CC4)S(=O)(=O)C)C5=NC=CC=N5

InChI

InChI=1S/C25H29N9O3S/c1-3-26-25(35)32-24-30-21-14-18(13-20(22(21)31-24)23-27-7-4-8-28-23)17-5-6-19(29-15-17)16-33-9-11-34(12-10-33)38(2,36)37/h4-8,13-15H,3,9-12,16H2,1-2H3,(H3,26,30,31,32,35)