5-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-(5-piperazin-1-ylsulfonyl-2-propoxy-phenyl)-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[5-(1-piperazinylsulfonyl)-2-propoxyphenyl]-3-propyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-(5-piperazin-1-ylsulfonyl-2-propoxyphenyl)-3-propyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-(5-piperazinosulfonyl-2-propoxy-phenyl)-3-propyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C27H33N7O4S MolecularWeight: 551.66042

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCNCC5)OCCC

Isomeric SMILES

CCCC1=C2C(=NN1CC3=CC=CC=N3)C(=O)N=C(N2)C4=C(C=CC(=C4)S(=O)(=O)N5CCNCC5)OCCC

InChI

InChI=1S/C27H33N7O4S/c1-3-7-22-24-25(32-34(22)18-19-8-5-6-11-29-19)27(35)31-26(30-24)21-17-20(9-10-23(21)38-16-4-2)39(36,37)33-14-12-28-13-15-33/h5-6,8-11,17,28H,3-4,7,12-16,18H2,1-2H3,(H,30,31,35)