1-methyl-5-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzodioxol-4-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 1-methyl-5-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzodioxol-4-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 1-methyl-5-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzodioxol-4-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 1-methyl-5-[2-methyl-6-[(4-methyl-1-piperazinyl)sulfonyl]-1,3-benzodioxol-4-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 1-methyl-5-[2-methyl-6-(4-methylpiperazin-1-yl)sulfonyl-1,3-benzodioxol-4-yl]-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 1-methyl-5-[2-methyl-6-(4-methylpiperazino)sulfonyl-1,3-benzodioxol-4-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=C3OC(O4)C)S(=O)(=O)N5CCN(CC5)C)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=CC(=CC4=C3OC(O4)C)S(=O)(=O)N5CCN(CC5)C)C

InChI

InChI=1S/C22H28N6O5S/c1-5-6-16-18-19(27(4)25-16)22(29)24-21(23-18)15-11-14(12-17-20(15)33-13(2)32-17)34(30,31)28-9-7-26(3)8-10-28/h11-13H,5-10H2,1-4H3,(H,23,24,29)