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

Systemtic Name: N-[(4-methoxyphenyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(4-methoxyphenyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[(4-methoxyanilino)-oxomethyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[(4-methoxyphenyl)carbamoyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[(4-methoxyphenyl)carbamoyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C21H18N6O3S MolecularWeight: 434.47102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H18N6O3S/c1-30-16-9-7-14(8-10-16)25-21(29)26-18(28)12-31-20-17-11-24-27(19(17)22-13-23-20)15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H2,25,26,28,29)