5-[3-ethoxy-5-[4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl]sulfonyl-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[3-ethoxy-5-[[4-(2-hydroxyethyl)-1-piperazinyl]sulfonyl]-2-thiophenyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[3-ethoxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[3-ethoxy-5-[4-(2-hydroxyethyl)piperazino]sulfonyl-2-thienyl]-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H30N6O5S2 MolecularWeight: 510.6301

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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)CCO)OCC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H30N6O5S2/c1-4-6-14-17-18(25(3)24-14)21(29)23-20(22-17)19-15(32-5-2)13-16(33-19)34(30,31)27-9-7-26(8-10-27)11-12-28/h13,28H,4-12H2,1-3H3,(H,22,23,29)