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

Systemtic Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Openeye Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one CAS Name: 5-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-3-methyl-2-(2-pyridinylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one IUPAC Name: 5-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-3-methyl-2-(pyridin-2-ylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Traditional Name: 5-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-3-methyl-2-(2-pyridylmethyl)-4H-pyrazolo[4,3-d]pyrimidin-7-one Formula: C25H29N7O4S MolecularWeight: 523.60726

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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=NN(C(=C4N3)C)CC5=CC=CC=N5

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=NN(C(=C4N3)C)CC5=CC=CC=N5

InChI

InChI=1S/C25H29N7O4S/c1-4-36-21-9-8-19(37(34,35)31-13-11-30(3)12-14-31)15-20(21)24-27-22-17(2)32(29-23(22)25(33)28-24)16-18-7-5-6-10-26-18/h5-10,15H,4,11-14,16H2,1-3H3,(H,27,28,33)