5-[[5-iodanyl-2-(pyrrolidin-1-ylcarbonylamino)pyrimidin-4-yl]amino]-N,N-dimethyl-indole-1-carboxamide

Systemtic Name: 5-[[5-iodanyl-2-(pyrrolidin-1-ylcarbonylamino)pyrimidin-4-yl]amino]-N,N-dimethyl-indole-1-carboxamide Openeye Name: 5-[[5-iodo-2-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]amino]-N,N-dimethyl-indole-1-carboxamide CAS Name: 5-[[5-iodo-2-[[oxo(1-pyrrolidinyl)methyl]amino]-4-pyrimidinyl]amino]-N,N-dimethyl-1-indolecarboxamide IUPAC Name: 5-[[5-iodo-2-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]amino]-N,N-dimethylindole-1-carboxamide Traditional Name: 5-[[5-iodo-2-(pyrrolidine-1-carbonylamino)pyrimidin-4-yl]amino]-N,N-dimethyl-indole-1-carboxamide Formula: C20H22IN7O2 MolecularWeight: 519.33885

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)N1C=CC2=C1C=CC(=C2)NC3=NC(=NC=C3I)NC(=O)N4CCCC4

Isomeric SMILES

CN(C)C(=O)N1C=CC2=C1C=CC(=C2)NC3=NC(=NC=C3I)NC(=O)N4CCCC4

InChI

InChI=1S/C20H22IN7O2/c1-26(2)20(30)28-10-7-13-11-14(5-6-16(13)28)23-17-15(21)12-22-18(24-17)25-19(29)27-8-3-4-9-27/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,22,23,24,25,29)