1-butan-2-yl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-prop-2-enoxy-phenyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1-butan-2-yl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-prop-2-enoxy-phenyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-allyloxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-sec-butyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-butan-2-yl-5-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-prop-2-enoxyphenyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-butan-2-yl-5-[5-(4-methylpiperazin-1-yl)sulfonyl-2-prop-2-enoxyphenyl]-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-allyloxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-sec-butyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(C=N1)NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC=C

Isomeric SMILES

CCC(C)N1C2=C(C=N1)NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC=C

InChI

InChI=1S/C23H30N6O4S/c1-5-13-33-20-8-7-17(34(31,32)28-11-9-27(4)10-12-28)14-18(20)22-25-19-15-24-29(16(3)6-2)21(19)23(30)26-22/h5,7-8,14-16H,1,6,9-13H2,2-4H3,(H,25,26,30)