[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-butylphenyl)methanone

Systemtic Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-butylphenyl)methanone Openeye Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-butylphenyl)methanone CAS Name: [4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-(4-butylphenyl)methanone IUPAC Name: [4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(4-butylphenyl)methanone Traditional Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-(4-butylphenyl)methanone Formula: C31H38N6O MolecularWeight: 510.67302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C(=NN4C5=CC=CC=C5)C)CCCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C(=NN4C5=CC=CC=C5)C)CCCC

InChI

InChI=1S/C31H38N6O/c1-4-6-11-24-15-17-25(18-16-24)31(38)36-21-19-35(20-22-36)29-28-23(3)34-37(26-12-9-8-10-13-26)30(28)33-27(32-29)14-7-5-2/h8-10,12-13,15-18H,4-7,11,14,19-22H2,1-3H3