3-[[4-[[5-(hydroxymethyl)-2-methyl-phenyl]-methyl-amino]pyrimidin-2-yl]amino]-5-morpholin-4-yl-benzenecarbonitrile

Systemtic Name: 3-[[4-[[5-(hydroxymethyl)-2-methyl-phenyl]-methyl-amino]pyrimidin-2-yl]amino]-5-morpholin-4-yl-benzenecarbonitrile Openeye Name: 3-[[4-[5-(hydroxymethyl)-N,2-dimethyl-anilino]pyrimidin-2-yl]amino]-5-morpholino-benzonitrile CAS Name: 3-[[4-[5-(hydroxymethyl)-N,2-dimethylanilino]-2-pyrimidinyl]amino]-5-(4-morpholinyl)benzonitrile IUPAC Name: 3-[[4-[5-(hydroxymethyl)-N,2-dimethylanilino]pyrimidin-2-yl]amino]-5-morpholin-4-ylbenzonitrile Traditional Name: 3-[[4-(N,2-dimethyl-5-methylol-anilino)pyrimidin-2-yl]amino]-5-morpholino-benzonitrile Formula: C24H26N6O2 MolecularWeight: 430.50224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CO)N(C)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)C#N

Isomeric SMILES

CC1=C(C=C(C=C1)CO)N(C)C2=NC(=NC=C2)NC3=CC(=CC(=C3)N4CCOCC4)C#N

InChI

InChI=1S/C24H26N6O2/c1-17-3-4-18(16-31)13-22(17)29(2)23-5-6-26-24(28-23)27-20-11-19(15-25)12-21(14-20)30-7-9-32-10-8-30/h3-6,11-14,31H,7-10,16H2,1-2H3,(H,26,27,28)