N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide

Systemtic Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide Openeye Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide CAS Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide IUPAC Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide Traditional Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-4,5,6,7-tetrahydroisobenzothiophene-1-carboxamide Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1)NC(C)C2=CC=CC=C2)C(=O)C3=C4CCCCC4=CS3

Isomeric SMILES

CCN(C1=NC(=NC=C1)N[C@H](C)C2=CC=CC=C2)C(=O)C3=C4CCCCC4=CS3

InChI

InChI=1S/C23H26N4OS/c1-3-27(22(28)21-19-12-8-7-11-18(19)15-29-21)20-13-14-24-23(26-20)25-16(2)17-9-5-4-6-10-17/h4-6,9-10,13-16H,3,7-8,11-12H2,1-2H3,(H,24,25,26)/t16-/m1/s1