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

Systemtic Name: 5-[3-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-thiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[3-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[3-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]-2-thiophenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[3-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylthiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[3-ethoxy-5-(4-methylpiperazino)sulfonyl-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C20H28N6O4S2 MolecularWeight: 480.60412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=C(S3)S(=O)(=O)N4CCN(CC4)C)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=C(S3)S(=O)(=O)N4CCN(CC4)C)OCC)C

InChI

InChI=1S/C20H28N6O4S2/c1-5-7-13-16-17(25(4)23-13)20(27)22-19(21-16)18-14(30-6-2)12-15(31-18)32(28,29)26-10-8-24(3)9-11-26/h12H,5-11H2,1-4H3,(H,21,22,27)