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

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C20H15ClN6O3S MolecularWeight: 454.8895

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C20H15ClN6O3S/c1-12(19(28)25-17-9-14(27(29)30)7-8-16(17)21)31-20-15-10-24-26(18(15)22-11-23-20)13-5-3-2-4-6-13/h2-12H,1H3,(H,25,28)