4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(1-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(1-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(1-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-[1-(1-pyrrolidinyl)ethylamino]-4-pyrimidinyl]oxy]-3,5-dimethylbenzonitrile IUPAC Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(1-pyrrolidin-1-ylethylamino)pyrimidin-4-yl]oxy-3,5-dimethylbenzonitrile Traditional Name: 4-[5-bromo-2-(4-cyanoanilino)-6-(1-pyrrolidinoethylamino)pyrimidin-4-yl]oxy-3,5-dimethyl-benzonitrile Formula: C26H26BrN7O MolecularWeight: 532.43494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)NC(C)N3CCCC3)NC4=CC=C(C=C4)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1OC2=NC(=NC(=C2Br)NC(C)N3CCCC3)NC4=CC=C(C=C4)C#N)C)C#N

InChI

InChI=1S/C26H26BrN7O/c1-16-12-20(15-29)13-17(2)23(16)35-25-22(27)24(30-18(3)34-10-4-5-11-34)32-26(33-25)31-21-8-6-19(14-28)7-9-21/h6-9,12-13,18H,4-5,10-11H2,1-3H3,(H2,30,31,32,33)