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

Systemtic Name: 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propan-2-yloxy-phenyl]-3-(phenylmethoxymethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-(benzyloxymethyl)-6-[2-isopropoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propan-2-yloxyphenyl]-3-(phenylmethoxymethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propan-2-yloxyphenyl]-3-(phenylmethoxymethyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(benzoxymethyl)-6-[2-isopropoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C30H38N6O5S MolecularWeight: 594.72492

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)COCC3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OC(C)C

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)COCC3=CC=CC=C3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OC(C)C

InChI

InChI=1S/C30H38N6O5S/c1-5-13-36-29-27(25(33-36)20-40-19-22-9-7-6-8-10-22)30(37)32-28(31-29)24-18-23(11-12-26(24)41-21(2)3)42(38,39)35-16-14-34(4)15-17-35/h6-12,18,21,33H,5,13-17,19-20H2,1-4H3