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

Systemtic Name: (5Z)-1-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-3-oxidanylidene-thiophen-2-ylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: (5Z)-1-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-3-oxo-2-thienylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: (5Z)-1-methyl-5-[4-[(4-methyl-1-piperazinyl)sulfonyl]-3-oxo-2-thiophenylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: (5Z)-1-methyl-5-[4-(4-methylpiperazin-1-yl)sulfonyl-3-oxothiophen-2-ylidene]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: (5Z)-5-[3-keto-4-(4-methylpiperazino)sulfonyl-2-thienylidene]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C18H24N6O4S2 MolecularWeight: 452.55096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O4S2/c1-4-5-11-13-14(23(3)21-11)18(26)20-17(19-13)16-15(25)12(10-29-16)30(27,28)24-8-6-22(2)7-9-24/h10,19H,4-9H2,1-3H3,(H,20,26)/b17-16-