N-[1-[2-[(4-morpholin-4-ylcarbonylphenyl)amino]pyrimidin-4-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[1-[2-[(4-morpholin-4-ylcarbonylphenyl)amino]pyrimidin-4-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[1-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-3-piperidyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[1-[2-[4-[4-morpholinyl(oxo)methyl]anilino]-4-pyrimidinyl]-3-piperidinyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[1-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[1-[2-[4-(morpholine-4-carbonyl)anilino]pyrimidin-4-yl]-3-piperidyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C29H34N6O3S MolecularWeight: 546.68366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NC3CCCN(C3)C4=NC(=NC=C4)NC5=CC=C(C=C5)C(=O)N6CCOCC6

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NC3CCCN(C3)C4=NC(=NC=C4)NC5=CC=C(C=C5)C(=O)N6CCOCC6

InChI

InChI=1S/C29H34N6O3S/c36-27(25-18-21-4-1-2-6-24(21)39-25)31-23-5-3-13-35(19-23)26-11-12-30-29(33-26)32-22-9-7-20(8-10-22)28(37)34-14-16-38-17-15-34/h7-12,18,23H,1-6,13-17,19H2,(H,31,36)(H,30,32,33)