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

Systemtic Name: methyl 4-[[5-azanyl-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 4-[(5-amino-6-indolin-1-yl-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[[5-amino-6-(2,3-dihydroindol-1-yl)-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-amino-6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[(5-amino-6-indolin-1-yl-pyrimidin-4-yl)amino]benzoic acid methyl ester Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2N)N3CCC4=CC=CC=C43

InChI

InChI=1S/C20H19N5O2/c1-27-20(26)14-6-8-15(9-7-14)24-18-17(21)19(23-12-22-18)25-11-10-13-4-2-3-5-16(13)25/h2-9,12H,10-11,21H2,1H3,(H,22,23,24)