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

Systemtic Name: 1-decan-4-yl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenyl-methyl]-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(4-methylpiperazin-1-yl)sulfonyl-phenyl-methyl]-3-propyl-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-decan-4-yl-6-[(4-methyl-1-piperazinyl)sulfonyl-phenylmethyl]-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-decan-4-yl-6-[(4-methylpiperazin-1-yl)sulfonyl-phenylmethyl]-3-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(4-methylpiperazino)sulfonyl-phenyl-methyl]-3-propyl-1-(1-propylheptyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C30H46N6O3S MolecularWeight: 570.78964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCC)N1C2=NC(=NC(=O)C2=C(N1)CCC)C(C3=CC=CC=C3)S(=O)(=O)N4CCN(CC4)C

Isomeric SMILES

CCCCCCC(CCC)N1C2=NC(=NC(=O)C2=C(N1)CCC)C(C3=CC=CC=C3)S(=O)(=O)N4CCN(CC4)C

InChI

InChI=1S/C30H46N6O3S/c1-5-8-9-13-18-24(14-6-2)36-29-26(25(33-36)15-7-3)30(37)32-28(31-29)27(23-16-11-10-12-17-23)40(38,39)35-21-19-34(4)20-22-35/h10-12,16-17,24,27,33H,5-9,13-15,18-22H2,1-4H3