5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-(3-oxidanylpropyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one

Systemtic Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-methyl-3-(3-oxidanylpropyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(3-hydroxypropyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-(3-hydroxypropyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(3-hydroxypropyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-(3-hydroxypropyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C22H30N6O5S MolecularWeight: 490.5758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)C(=NN4C)CCCO

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=C(N3)C(=NN4C)CCCO

InChI

InChI=1S/C22H30N6O5S/c1-4-33-18-8-7-15(34(31,32)28-11-9-26(2)10-12-28)14-16(18)21-23-19-17(6-5-13-29)25-27(3)20(19)22(30)24-21/h7-8,14,29H,4-6,9-13H2,1-3H3,(H,23,24,30)