3-[1-[[4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide

Systemtic Name: 3-[1-[[4-[5-(2-azanylpyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide Openeye Name: 3-[1-[[4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide CAS Name: 3-[1-[[4-[5-(2-amino-4-pyridinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-4-methyl-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[1-[[4-[5-(2-aminopyridin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenylpiperazine-1-carboxamide Traditional Name: 3-[1-[[4-[5-(2-amino-4-pyridyl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide Formula: C30H32N10O MolecularWeight: 548.64148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CN(CCN1C)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=CC(=NC=C6)N

Isomeric SMILES

CC(C1CN(CCN1C)C(=O)NC2=CC=CC=C2)NC3=NC=CC(=N3)N4C=NC5=C4C=CC(=C5)C6=CC(=NC=C6)N

InChI

InChI=1S/C30H32N10O/c1-20(26-18-39(15-14-38(26)2)30(41)36-23-6-4-3-5-7-23)35-29-33-13-11-28(37-29)40-19-34-24-16-21(8-9-25(24)40)22-10-12-32-27(31)17-22/h3-13,16-17,19-20,26H,14-15,18H2,1-2H3,(H2,31,32)(H,36,41)(H,33,35,37)