[4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(6-pentan-2-yl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-(6-pentan-2-yl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(6-pentan-2-yl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-(1-methylbutyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C25H28N6OS MolecularWeight: 460.59442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCCC(C)C1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C25H28N6OS/c1-3-8-18(2)22-27-23(20-17-26-31(24(20)28-22)19-9-5-4-6-10-19)29-12-14-30(15-13-29)25(32)21-11-7-16-33-21/h4-7,9-11,16-18H,3,8,12-15H2,1-2H3