3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-thiophene-2-carbonitrile

Systemtic Name: 3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-thiophene-2-carbonitrile Openeye Name: 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonyl-thiophene-2-carbonitrile CAS Name: 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-[(4-methyl-1-piperazinyl)sulfonyl]-2-thiophenecarbonitrile IUPAC Name: 3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carbonitrile Traditional Name: 3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)-5-(4-methylpiperazino)sulfonyl-thiophene-2-carbonitrile Formula: C19H23N7O3S2 MolecularWeight: 461.56102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(SC(=C3)S(=O)(=O)N4CCN(CC4)C)C#N)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(SC(=C3)S(=O)(=O)N4CCN(CC4)C)C#N)C

InChI

InChI=1S/C19H23N7O3S2/c1-4-5-13-16-17(25(3)23-13)19(27)22-18(21-16)12-10-15(30-14(12)11-20)31(28,29)26-8-6-24(2)7-9-26/h10H,4-9H2,1-3H3,(H,21,22,27)