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

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

CN1CCN(CC1CCNC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=NC(=NC=C5)N)C(=O)NC6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1CCNC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=NC(=NC=C5)N)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C29H31N11O/c1-38-15-16-39(29(41)35-21-5-3-2-4-6-21)18-22(38)9-12-32-28-33-14-11-26(37-28)40-19-34-24-17-20(7-8-25(24)40)23-10-13-31-27(30)36-23/h2-8,10-11,13-14,17,19,22H,9,12,15-16,18H2,1H3,(H,35,41)(H2,30,31,36)(H,32,33,37)