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

Systemtic Name: 1-[6-[6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethyl-urea Openeye Name: 1-[6-[6-[(4-cyclopropylpiperazin-1-yl)methyl]-3-pyridyl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethyl-urea CAS Name: 1-[6-[6-[(4-cyclopropyl-1-piperazinyl)methyl]-3-pyridinyl]-4-(2-pyrimidinyl)-1H-benzimidazol-2-yl]-3-ethylurea IUPAC Name: 1-[6-[6-[(4-cyclopropylpiperazin-1-yl)methyl]pyridin-3-yl]-4-pyrimidin-2-yl-1H-benzimidazol-2-yl]-3-ethylurea Traditional Name: 1-[6-[6-[(4-cyclopropylpiperazino)methyl]-3-pyridyl]-4-(2-pyrimidyl)-1H-benzimidazol-2-yl]-3-ethyl-urea Formula: C27H31N9O MolecularWeight: 497.59474

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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)C5CC5)C6=NC=CC=N6

Isomeric SMILES

CCNC(=O)NC1=NC2=C(C=C(C=C2N1)C3=CN=C(C=C3)CN4CCN(CC4)C5CC5)C6=NC=CC=N6

InChI

InChI=1S/C27H31N9O/c1-2-28-27(37)34-26-32-23-15-19(14-22(24(23)33-26)25-29-8-3-9-30-25)18-4-5-20(31-16-18)17-35-10-12-36(13-11-35)21-6-7-21/h3-5,8-9,14-16,21H,2,6-7,10-13,17H2,1H3,(H3,28,32,33,34,37)