4-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile

Systemtic Name: 4-(1H-indol-3-yl)-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidine-5-carbonitrile Openeye Name: 4-(1H-indol-3-yl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile CAS Name: 4-(1H-indol-3-yl)-2-(3,4,5-trimethoxyanilino)-5-pyrimidinecarbonitrile IUPAC Name: 4-(1H-indol-3-yl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Traditional Name: 4-(1H-indol-3-yl)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carbonitrile Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC2=NC=C(C(=N2)C3=CNC4=CC=CC=C43)C#N

InChI

InChI=1S/C22H19N5O3/c1-28-18-8-14(9-19(29-2)21(18)30-3)26-22-25-11-13(10-23)20(27-22)16-12-24-17-7-5-4-6-15(16)17/h4-9,11-12,24H,1-3H3,(H,25,26,27)