5-methyl-N'-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: 5-methyl-N'-[3-(pyrimidin-2-ylamino)phenyl]carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: 5-methyl-N'-[3-(pyrimidin-2-ylamino)benzoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: 5-methyl-N'-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: 5-methyl-N'-[3-(pyrimidin-2-ylamino)benzoyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: 5-methyl-N'-[3-(2-pyrimidylamino)benzoyl]-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C21H21N5O2S/c1-13-6-7-17-15(10-13)12-18(29-17)20(28)26-25-19(27)14-4-2-5-16(11-14)24-21-22-8-3-9-23-21/h2-5,8-9,11-13H,6-7,10H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)