2-[(5-azanyl-4-oxidanylidene-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-6-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide

Systemtic Name: 2-[(5-azanyl-4-oxidanylidene-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-6-yl)sulfanyl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[(5-amino-4-oxo-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-6-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[(5-amino-4-oxo-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-6-yl)thio]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[(5-amino-4-oxo-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-6-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[(5-amino-4-keto-1-phenyl-3aH-pyrazolo[3,4-d]pyrimidin-5-ium-6-yl)thio]-N-(4-methoxyphenyl)acetamide Formula: C20H19N6O3S+ MolecularWeight: 423.46826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSC2=[N+](C(=O)C3C=NN(C3=N2)C4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSC2=[N+](C(=O)C3C=NN(C3=N2)C4=CC=CC=C4)N

InChI

InChI=1S/C20H18N6O3S/c1-29-15-9-7-13(8-10-15)23-17(27)12-30-20-24-18-16(19(28)25(20)21)11-22-26(18)14-5-3-2-4-6-14/h2-11,16H,12,21H2,1H3/p+1