methyl 3-[[5-bromanyl-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylate

Systemtic Name: methyl 3-[[5-bromanyl-2-[(3-hydroxyphenyl)amino]pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylate Openeye Name: methyl 3-[[5-bromo-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylate CAS Name: 3-[[5-bromo-2-(3-hydroxyanilino)-4-pyrimidinyl]amino]-1-methyl-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[5-bromo-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-1-methylpyrrole-2-carboxylate Traditional Name: 3-[[5-bromo-2-(3-hydroxyanilino)pyrimidin-4-yl]amino]-1-methyl-pyrrole-2-carboxylic acid methyl ester Formula: C17H16BrN5O3 MolecularWeight: 418.24464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1C(=O)OC)NC2=NC(=NC=C2Br)NC3=CC(=CC=C3)O

Isomeric SMILES

CN1C=CC(=C1C(=O)OC)NC2=NC(=NC=C2Br)NC3=CC(=CC=C3)O

InChI

InChI=1S/C17H16BrN5O3/c1-23-7-6-13(14(23)16(25)26-2)21-15-12(18)9-19-17(22-15)20-10-4-3-5-11(24)8-10/h3-9,24H,1-2H3,(H2,19,20,21,22)