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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)N3CCC4=CC=CC=C43

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2N)N3CCC4=CC=CC=C43

InChI

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