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

Systemtic Name: 3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)-N-(6-phenoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H18N6O3S MolecularWeight: 446.48172

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C22H18N6O3S/c1-27-20-16(12-24-27)21(30)28(13-23-20)10-9-19(29)26-22-25-17-8-7-15(11-18(17)32-22)31-14-5-3-2-4-6-14/h2-8,11-13H,9-10H2,1H3,(H,25,26,29)