N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide

Systemtic Name: N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide Openeye Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanamide CAS Name: N-(5-acetyl-4-phenyl-2-thiazolyl)-3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)propanamide IUPAC Name: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanamide Traditional Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propionamide Formula: C20H18N6O3S MolecularWeight: 422.46032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C)C4=CC=CC=C4

InChI

InChI=1S/C20H18N6O3S/c1-12(27)17-16(13-6-4-3-5-7-13)24-20(30-17)23-15(28)8-9-26-11-21-18-14(19(26)29)10-22-25(18)2/h3-7,10-11H,8-9H2,1-2H3,(H,23,24,28)