(5Z)-1-methyl-5-[3-oxidanylidene-4-(4-phenylpiperazin-1-yl)sulfonyl-thiophen-2-ylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: (5Z)-1-methyl-5-[3-oxidanylidene-4-(4-phenylpiperazin-1-yl)sulfonyl-thiophen-2-ylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: (5Z)-1-methyl-5-[3-oxo-4-(4-phenylpiperazin-1-yl)sulfonyl-2-thienylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: (5Z)-1-methyl-5-[3-oxo-4-[(4-phenyl-1-piperazinyl)sulfonyl]-2-thiophenylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: (5Z)-1-methyl-5-[3-oxo-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-ylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: (5Z)-5-[3-keto-4-(4-phenylpiperazino)sulfonyl-2-thienylidene]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H26N6O4S2 MolecularWeight: 514.62034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=C3C(=O)C(=CS3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=O)C

Isomeric SMILES

CCCC1=NN(C2=C1N/C(=C/3\C(=O)C(=CS3)S(=O)(=O)N4CCN(CC4)C5=CC=CC=C5)/NC2=O)C

InChI

InChI=1S/C23H26N6O4S2/c1-3-7-16-18-19(27(2)26-16)23(31)25-22(24-18)21-20(30)17(14-34-21)35(32,33)29-12-10-28(11-13-29)15-8-5-4-6-9-15/h4-6,8-9,14,24H,3,7,10-13H2,1-2H3,(H,25,31)/b22-21-