N-(3,4-diethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,4-diethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4)OCC

InChI

InChI=1S/C23H23N5O3S/c1-3-30-19-11-10-16(12-20(19)31-4-2)27-21(29)14-32-23-18-13-26-28(22(18)24-15-25-23)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,27,29)