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

Systemtic Name: 5-(3-ethoxy-5-piperazin-1-ylsulfonyl-thiophen-2-yl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(3-ethoxy-5-piperazin-1-ylsulfonyl-2-thienyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[3-ethoxy-5-(1-piperazinylsulfonyl)-2-thiophenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(3-ethoxy-5-piperazin-1-ylsulfonylthiophen-2-yl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(3-ethoxy-5-piperazinosulfonyl-2-thienyl)-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C19H26N6O4S2 MolecularWeight: 466.57754

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=C(S3)S(=O)(=O)N4CCNCC4)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=C(S3)S(=O)(=O)N4CCNCC4)OCC)C

InChI

InChI=1S/C19H26N6O4S2/c1-4-6-12-15-16(24(3)23-12)19(26)22-18(21-15)17-13(29-5-2)11-14(30-17)31(27,28)25-9-7-20-8-10-25/h11,20H,4-10H2,1-3H3,(H,21,22,26)