3-chloranyl-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]benzothiophene-2-carboxamide Formula: C23H21ClN4OS MolecularWeight: 436.95704

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1)NC(C)C2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CCN(C1=NC(=NC=C1)N[C@H](C)C2=CC=CC=C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H21ClN4OS/c1-3-28(22(29)21-20(24)17-11-7-8-12-18(17)30-21)19-13-14-25-23(27-19)26-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H,25,26,27)/t15-/m1/s1