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

Systemtic Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(6-butyl-1,3-benzothiazol-2-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H22N6O2S MolecularWeight: 410.49268

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C20H22N6O2S/c1-3-4-5-13-6-7-15-16(10-13)29-20(23-15)24-17(27)8-9-26-12-21-18-14(19(26)28)11-22-25(18)2/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,24,27)