3-[[4-[[4-(1H-indol-7-ylcarbonyl)phenyl]amino]pyrimidin-2-yl]amino]propanenitrile

Systemtic Name: 3-[[4-[[4-(1H-indol-7-ylcarbonyl)phenyl]amino]pyrimidin-2-yl]amino]propanenitrile Openeye Name: 3-[[4-[4-(1H-indole-7-carbonyl)anilino]pyrimidin-2-yl]amino]propanenitrile CAS Name: 3-[[4-[4-[1H-indol-7-yl(oxo)methyl]anilino]-2-pyrimidinyl]amino]propanenitrile IUPAC Name: 3-[[4-[4-(1H-indole-7-carbonyl)anilino]pyrimidin-2-yl]amino]propanenitrile Traditional Name: 3-[[4-[4-(1H-indole-7-carbonyl)anilino]pyrimidin-2-yl]amino]propionitrile Formula: C22H18N6O MolecularWeight: 382.41792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)NC4=NC(=NC=C4)NCCC#N)NC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)C(=O)C3=CC=C(C=C3)NC4=NC(=NC=C4)NCCC#N)NC=C2

InChI

InChI=1S/C22H18N6O/c23-11-2-12-25-22-26-14-10-19(28-22)27-17-7-5-16(6-8-17)21(29)18-4-1-3-15-9-13-24-20(15)18/h1,3-10,13-14,24H,2,12H2,(H2,25,26,27,28)