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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CN(CCN1C)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CC(=N4)N5C=NC6=C5C=CC(=C6)C7=NC(=NC=C7)N

Isomeric SMILES

CCN(C1CN(CCN1C)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC=CC(=N4)N5C=NC6=C5C=CC(=C6)C7=NC(=NC=C7)N

InChI

InChI=1S/C33H33N11O/c1-3-43(30-20-42(18-17-41(30)2)33(45)39-26-10-6-8-22-7-4-5-9-24(22)26)32-36-16-14-29(40-32)44-21-37-27-19-23(11-12-28(27)44)25-13-15-35-31(34)38-25/h4-16,19,21,30H,3,17-18,20H2,1-2H3,(H,39,45)(H2,34,35,38)