N-(5-chloranyl-2-methoxy-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C21H18ClN5O2S MolecularWeight: 439.91792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5O2S/c1-13(20(28)26-17-10-14(22)8-9-18(17)29-2)30-21-16-11-25-27(19(16)23-12-24-21)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,26,28)