N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-5-(2-oxidanylpropan-2-yl)thiophene-2-carboxamide

Systemtic Name: N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]-5-(2-oxidanylpropan-2-yl)thiophene-2-carboxamide Openeye Name: 5-(1-hydroxy-1-methyl-ethyl)-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]thiophene-2-carboxamide CAS Name: 5-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[[4-(5-pyrimidinyl)-2-pyrimidinyl]amino]phenyl]-2-thiophenecarboxamide IUPAC Name: 5-(2-hydroxypropan-2-yl)-N-[4-methyl-3-[(4-pyrimidin-5-ylpyrimidin-2-yl)amino]phenyl]thiophene-2-carboxamide Traditional Name: 5-(1-hydroxy-1-methyl-ethyl)-N-[4-methyl-3-[[4-(5-pyrimidyl)pyrimidin-2-yl]amino]phenyl]thiophene-2-carboxamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(S2)C(C)(C)O)NC3=NC=CC(=N3)C4=CN=CN=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(S2)C(C)(C)O)NC3=NC=CC(=N3)C4=CN=CN=C4

InChI

InChI=1S/C23H22N6O2S/c1-14-4-5-16(27-21(30)19-6-7-20(32-19)23(2,3)31)10-18(14)29-22-26-9-8-17(28-22)15-11-24-13-25-12-15/h4-13,31H,1-3H3,(H,27,30)(H,26,28,29)