N-[1-azanyl-1-oxidanylidene-3-[phenyl(pyrimidin-2-yl)amino]propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide

Systemtic Name: N-[1-azanyl-1-oxidanylidene-3-[phenyl(pyrimidin-2-yl)amino]propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide Openeye Name: N-[2-amino-2-oxo-1-[(N-pyrimidin-2-ylanilino)methyl]ethyl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide CAS Name: N-[1-amino-1-oxo-3-[N-(2-pyrimidinyl)anilino]propan-2-yl]-2-[2-(methylamino)-4-pyrimidinyl]-1H-indole-5-carboxamide IUPAC Name: N-[1-amino-1-oxo-3-(N-pyrimidin-2-ylanilino)propan-2-yl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide Traditional Name: N-[2-amino-2-keto-1-[[N-(2-pyrimidyl)anilino]methyl]ethyl]-2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxamide Formula: C27H25N9O2 MolecularWeight: 507.5465

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC=CC(=N1)C2=CC3=C(N2)C=CC(=C3)C(=O)NC(CN(C4=CC=CC=C4)C5=NC=CC=N5)C(=O)N

Isomeric SMILES

CNC1=NC=CC(=N1)C2=CC3=C(N2)C=CC(=C3)C(=O)NC(CN(C4=CC=CC=C4)C5=NC=CC=N5)C(=O)N

InChI

InChI=1S/C27H25N9O2/c1-29-26-30-13-10-21(35-26)22-15-18-14-17(8-9-20(18)33-22)25(38)34-23(24(28)37)16-36(19-6-3-2-4-7-19)27-31-11-5-12-32-27/h2-15,23,33H,16H2,1H3,(H2,28,37)(H,34,38)(H,29,30,35)