6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1-propyl-3-(2-pyrimidinylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-1-propyl-3-(pyrimidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-1-propyl-3-(2-pyrimidylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C27H34N8O4S MolecularWeight: 566.67506

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=NC=CC=N3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3=NC=CC=N3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCCC

InChI

InChI=1S/C27H34N8O4S/c1-4-11-35-26-24(21(32-35)18-23-28-9-6-10-29-23)27(36)31-25(30-26)20-17-19(7-8-22(20)39-16-5-2)40(37,38)34-14-12-33(3)13-15-34/h6-10,17,32H,4-5,11-16,18H2,1-3H3