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

Systemtic Name: 1-methyl-5-[7-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-5-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[7-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-5-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[7-[(4-methyl-1-piperazinyl)sulfonyl]-2,3-dihydro-1,4-benzodioxin-5-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[7-(4-methylpiperazin-1-yl)sulfonyl-2,3-dihydro-1,4-benzodioxin-5-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-[7-(4-methylpiperazino)sulfonyl-2,3-dihydro-1,4-benzodioxin-5-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H28N6O5S MolecularWeight: 488.55992

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCCO4)S(=O)(=O)N5CCN(CC5)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OCCO4)S(=O)(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C22H28N6O5S/c1-4-5-16-18-19(27(3)25-16)22(29)24-21(23-18)15-12-14(13-17-20(15)33-11-10-32-17)34(30,31)28-8-6-26(2)7-9-28/h12-13H,4-11H2,1-3H3,(H,23,24,29)