3-[5-azanyl-2-[3-(1-methylimidazol-2-yl)phenoxy]-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-methyl-benzenecarbonitrile

Systemtic Name: 3-[5-azanyl-2-[3-(1-methylimidazol-2-yl)phenoxy]-6-[(phenylmethyl)amino]pyrimidin-4-yl]oxy-4-methyl-benzenecarbonitrile Openeye Name: 3-[5-amino-6-(benzylamino)-2-[3-(1-methylimidazol-2-yl)phenoxy]pyrimidin-4-yl]oxy-4-methyl-benzonitrile CAS Name: 3-[[5-amino-2-[3-(1-methyl-2-imidazolyl)phenoxy]-6-[(phenylmethyl)amino]-4-pyrimidinyl]oxy]-4-methylbenzonitrile IUPAC Name: 3-[5-amino-6-(benzylamino)-2-[3-(1-methylimidazol-2-yl)phenoxy]pyrimidin-4-yl]oxy-4-methylbenzonitrile Traditional Name: 3-[5-amino-6-(benzylamino)-2-[3-(1-methylimidazol-2-yl)phenoxy]pyrimidin-4-yl]oxy-4-methyl-benzonitrile Formula: C29H25N7O2 MolecularWeight: 503.5545

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=CC=CC(=C4)C5=NC=CN5C

Isomeric SMILES

CC1=C(C=C(C=C1)C#N)OC2=NC(=NC(=C2N)NCC3=CC=CC=C3)OC4=CC=CC(=C4)C5=NC=CN5C

InChI

InChI=1S/C29H25N7O2/c1-19-11-12-21(17-30)15-24(19)38-28-25(31)26(33-18-20-7-4-3-5-8-20)34-29(35-28)37-23-10-6-9-22(16-23)27-32-13-14-36(27)2/h3-16H,18,31H2,1-2H3,(H,33,34,35)