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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N(C)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N(C)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H18N6O2S/c1-22(10-15-21-13-5-3-4-6-14(13)27-15)16(25)7-8-24-11-19-17-12(18(24)26)9-20-23(17)2/h3-6,9,11H,7-8,10H2,1-2H3