N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(6-methyl-4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(4-keto-6-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C24H22N6O3S MolecularWeight: 474.53488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=NC4=C(C3=O)C=NN4C5=CC=CC=C5)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C(=NC4=C(C3=O)C=NN4C5=CC=CC=C5)C

InChI

InChI=1S/C24H22N6O3S/c1-3-33-17-9-10-19-20(13-17)34-24(27-19)28-21(31)11-12-29-15(2)26-22-18(23(29)32)14-25-30(22)16-7-5-4-6-8-16/h4-10,13-14H,3,11-12H2,1-2H3,(H,27,28,31)