methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanoate

Systemtic Name: methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate CAS Name: 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]-2-pyrimidinyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate Traditional Name: 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetic acid methyl ester Formula: C22H21N5O2 MolecularWeight: 387.43444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(N1)C=CC(=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)CC(=O)OC

Isomeric SMILES

CC1=CC2=C(N1)C=CC(=C2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)CC(=O)OC

InChI

InChI=1S/C22H21N5O2/c1-14-11-16-13-18(7-8-19(16)24-14)25-20-9-10-23-22(27-20)26-17-5-3-15(4-6-17)12-21(28)29-2/h3-11,13,24H,12H2,1-2H3,(H2,23,25,26,27)