1-tert-butyl-5-[3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-tert-butyl-5-[3-[4-(diphenylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(4-benzhydrylpiperazin-1-yl)-3-oxo-propyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-tert-butyl-5-[3-[4-(diphenylmethyl)-1-piperazinyl]-3-oxopropyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(4-benzhydrylpiperazin-1-yl)-3-oxopropyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(4-benzhydrylpiperazino)-3-keto-propyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C29H34N6O2 MolecularWeight: 498.61926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N6O2/c1-29(2,3)35-27-24(20-31-35)28(37)34(21-30-27)15-14-25(36)32-16-18-33(19-17-32)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23/h4-13,20-21,26H,14-19H2,1-3H3