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

Systemtic Name: 3-[1-[[4-[5-(2-azanylpyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide Openeye Name: 3-[1-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide CAS Name: 3-[1-[[4-[5-(2-amino-4-pyrimidinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-4-methyl-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[1-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenylpiperazine-1-carboxamide Traditional Name: 3-[1-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-phenyl-piperazine-1-carboxamide Formula: C29H31N11O MolecularWeight: 549.62954

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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=NC(=NC=C6)N

Isomeric SMILES

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

InChI

InChI=1S/C29H31N11O/c1-19(25-17-39(15-14-38(25)2)29(41)35-21-6-4-3-5-7-21)34-28-32-13-11-26(37-28)40-18-33-23-16-20(8-9-24(23)40)22-10-12-31-27(30)36-22/h3-13,16,18-19,25H,14-15,17H2,1-2H3,(H,35,41)(H2,30,31,36)(H,32,34,37)