2-phenylsulfanyl-N-[4-(1,3,5-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]ethanamide

Systemtic Name: 2-phenylsulfanyl-N-[4-(1,3,5-trimethyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]ethanamide Openeye Name: 2-phenylsulfanyl-N-[4-(1,3,5-trimethyl-7-oxo-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]acetamide CAS Name: 2-(phenylthio)-N-[4-(1,3,5-trimethyl-7-oxo-6-pyrazolo[4,3-d]pyrimidinyl)phenyl]acetamide IUPAC Name: 2-phenylsulfanyl-N-[4-(1,3,5-trimethyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)phenyl]acetamide Traditional Name: N-[4-(7-keto-1,3,5-trimethyl-pyrazolo[4,3-d]pyrimidin-6-yl)phenyl]-2-(phenylthio)acetamide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(N(C2=O)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=NN(C2=C1N=C(N(C2=O)C3=CC=C(C=C3)NC(=O)CSC4=CC=CC=C4)C)C

InChI

InChI=1S/C22H21N5O2S/c1-14-20-21(26(3)25-14)22(29)27(15(2)23-20)17-11-9-16(10-12-17)24-19(28)13-30-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,24,28)