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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C18H18N6O2S MolecularWeight: 382.43952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C18H18N6O2S/c1-3-11-4-5-13-14(8-11)27-18(21-13)22-15(25)6-7-24-10-19-16-12(17(24)26)9-20-23(16)2/h4-5,8-10H,3,6-7H2,1-2H3,(H,21,22,25)