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

Systemtic Name: 3-(cyclopropylmethyl)-6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 3-(cyclopropylmethyl)-6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 3-(cyclopropylmethyl)-6-[2-ethoxy-5-[(4-methyl-1-piperazinyl)sulfonyl]phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 3-(cyclopropylmethyl)-6-[2-ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 3-(cyclopropylmethyl)-6-[2-ethoxy-5-(4-methylpiperazino)sulfonyl-phenyl]-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H34N6O4S MolecularWeight: 514.64026

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3CC3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)CC3CC3)C4=C(C=CC(=C4)S(=O)(=O)N5CCN(CC5)C)OCC

InChI

InChI=1S/C25H34N6O4S/c1-4-10-31-24-22(20(28-31)15-17-6-7-17)25(32)27-23(26-24)19-16-18(8-9-21(19)35-5-2)36(33,34)30-13-11-29(3)12-14-30/h8-9,16-17,28H,4-7,10-15H2,1-3H3