N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]-4-pyrimidinyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-ethyl-N-[2-[[(1R)-1-phenylethyl]amino]pyrimidin-4-yl]piazthiole-5-carboxamide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=NC(=NC=C1)NC(C)C2=CC=CC=C2)C(=O)C3=CC4=NSN=C4C=C3

Isomeric SMILES

CCN(C1=NC(=NC=C1)N[C@H](C)C2=CC=CC=C2)C(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C21H20N6OS/c1-3-27(20(28)16-9-10-17-18(13-16)26-29-25-17)19-11-12-22-21(24-19)23-14(2)15-7-5-4-6-8-15/h4-14H,3H2,1-2H3,(H,22,23,24)/t14-/m1/s1