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

Systemtic Name: N-[2-methyl-3-[2-[[4-(2-methylpropylcarbamoyl)phenyl]amino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[3-[2-[4-(isobutylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-methyl-3-[2-[4-[(2-methylpropylamino)-oxomethyl]anilino]-4-pyrimidinyl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methyl-3-[2-[4-(2-methylpropylcarbamoyl)anilino]pyrimidin-4-yl]phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[3-[2-[4-(isobutylcarbamoyl)anilino]pyrimidin-4-yl]-2-methyl-phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C31H33N5O2S MolecularWeight: 539.69102

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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)NCC(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)NCC(C)C

InChI

InChI=1S/C31H33N5O2S/c1-19(2)18-33-29(37)21-11-13-23(14-12-21)34-31-32-16-15-26(36-31)24-8-6-9-25(20(24)3)35-30(38)28-17-22-7-4-5-10-27(22)39-28/h6,8-9,11-17,19H,4-5,7,10,18H2,1-3H3,(H,33,37)(H,35,38)(H,32,34,36)