N-[2-methyl-3-[2-[[4-(3-methylbutan-2-ylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-methyl-3-[2-[[4-(3-methylbutan-2-ylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-[2-[4-(1,2-dimethylpropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-methyl-3-[2-[4-[(3-methylbutan-2-ylamino)-oxomethyl]anilino]-4-pyrimidinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methyl-3-[2-[4-(3-methylbutan-2-ylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[2-[4-(1,2-dimethylpropylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C32H35N5O2S MolecularWeight: 553.7176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=NC(=NC=C4)NC5=CC=C(C=C5)C(=O)NC(C)C(C)C

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC3=C(S2)CCCC3)C4=NC(=NC=C4)NC5=CC=C(C=C5)C(=O)NC(C)C(C)C

InChI

InChI=1S/C32H35N5O2S/c1-19(2)21(4)34-30(38)22-12-14-24(15-13-22)35-32-33-17-16-27(37-32)25-9-7-10-26(20(25)3)36-31(39)29-18-23-8-5-6-11-28(23)40-29/h7,9-10,12-19,21H,5-6,8,11H2,1-4H3,(H,34,38)(H,36,39)(H,33,35,37)