[4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-(6-butyl-3-methyl-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-(6-butyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(6-butyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C26H30N6OS MolecularWeight: 474.621

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CS5

Isomeric SMILES

CCCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H30N6OS/c1-3-4-13-22-27-24(23-19(2)29-32(25(23)28-22)20-10-6-5-7-11-20)30-14-9-15-31(17-16-30)26(33)21-12-8-18-34-21/h5-8,10-12,18H,3-4,9,13-17H2,1-2H3