N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]thiadiazole-4-carboxamide CAS Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]amino]ethyl]-4-thiadiazolecarboxamide IUPAC Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]amino]ethyl]thiadiazole-4-carboxamide Traditional Name: N-[2-[[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]amino]ethyl]thiadiazole-4-carboxamide Formula: C19H22N8O2S MolecularWeight: 426.49538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CSN=N2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NCCNC(=O)C2=CSN=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H22N8O2S/c1-13(28)20-7-8-21-16-11-17(25-18(24-16)14-5-3-2-4-6-14)22-9-10-23-19(29)15-12-30-27-26-15/h2-6,11-12H,7-10H2,1H3,(H,20,28)(H,23,29)(H2,21,22,24,25)