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

Systemtic Name: 3-[2-[[4-[5-(2-azanylpyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-naphthalen-1-yl-piperazine-1-carboxamide Openeye Name: 3-[2-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-(1-naphthyl)piperazine-1-carboxamide CAS Name: 3-[2-[[4-[5-(2-amino-4-pyrimidinyl)-1-benzimidazolyl]-2-pyrimidinyl]amino]ethyl]-4-methyl-N-(1-naphthalenyl)-1-piperazinecarboxamide IUPAC Name: 3-[2-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-naphthalen-1-ylpiperazine-1-carboxamide Traditional Name: 3-[2-[[4-[5-(2-aminopyrimidin-4-yl)benzimidazol-1-yl]pyrimidin-2-yl]amino]ethyl]-4-methyl-N-(1-naphthyl)piperazine-1-carboxamide Formula: C33H33N11O MolecularWeight: 599.68822

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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=CC7=CC=CC=C76

Isomeric SMILES

CN1CCN(CC1CCNC2=NC=CC(=N2)N3C=NC4=C3C=CC(=C4)C5=NC(=NC=C5)N)C(=O)NC6=CC=CC7=CC=CC=C76

InChI

InChI=1S/C33H33N11O/c1-42-17-18-43(33(45)40-27-8-4-6-22-5-2-3-7-25(22)27)20-24(42)11-14-36-32-37-16-13-30(41-32)44-21-38-28-19-23(9-10-29(28)44)26-12-15-35-31(34)39-26/h2-10,12-13,15-16,19,21,24H,11,14,17-18,20H2,1H3,(H,40,45)(H2,34,35,39)(H,36,37,41)