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

Systemtic Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(methoxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-(methoxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-(methoxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-(methoxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-(methoxymethyl)-1-methyl-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C21H28N6O5S MolecularWeight: 476.54922

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O5S/c1-5-32-17-7-6-14(33(29,30)27-10-8-25(2)9-11-27)12-15(17)20-22-18-16(13-31-4)24-26(3)19(18)21(28)23-20/h6-7,12H,5,8-11,13H2,1-4H3,(H,22,23,28)