ethyl 3-[[5-azanyl-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[5-azanyl-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[(5-amino-6-indolin-1-yl-pyrimidin-4-yl)amino]benzoate CAS Name: 3-[[5-amino-6-(2,3-dihydroindol-1-yl)-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[(5-amino-6-indolin-1-yl-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C43

InChI

InChI=1S/C21H21N5O2/c1-2-28-21(27)15-7-5-8-16(12-15)25-19-18(22)20(24-13-23-19)26-11-10-14-6-3-4-9-17(14)26/h3-9,12-13H,2,10-11,22H2,1H3,(H,23,24,25)