N-[(5-chloranylthiophen-2-yl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-enyl-ethanamide

Systemtic Name: N-[(5-chloranylthiophen-2-yl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(5-chloro-2-thiophenyl)methyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-N-prop-2-enylacetamide IUPAC Name: N-[(5-chlorothiophen-2-yl)methyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-N-prop-2-enylacetamide Traditional Name: N-allyl-N-[(5-chloro-2-thienyl)methyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18ClN5OS2 MolecularWeight: 455.98352

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC1=CC=C(S1)Cl)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C=CCN(CC1=CC=C(S1)Cl)C(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18ClN5OS2/c1-2-10-26(12-16-8-9-18(22)30-16)19(28)13-29-21-17-11-25-27(20(17)23-14-24-21)15-6-4-3-5-7-15/h2-9,11,14H,1,10,12-13H2