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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-prop-2-enyl-propanamide Openeye Name: N-allyl-N-(1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-prop-2-enylpropanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-prop-2-enylpropanamide Traditional Name: N-allyl-N-(1,3-benzothiazol-2-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N(CC=C)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N(CC=C)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H18N6O2S/c1-3-9-25(19-22-14-6-4-5-7-15(14)28-19)16(26)8-10-24-12-20-17-13(18(24)27)11-21-23(17)2/h3-7,11-12H,1,8-10H2,2H3