3-methyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 3-methyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one CAS Name: 3-methyl-1-[4-(3-methyl-1-phenyl-6-propyl-4-pyrazolo[3,4-d]pyrimidinyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 3-methyl-1-[4-(3-methyl-1-phenyl-6-propylpyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Traditional Name: 3-methyl-1-[4-(3-methyl-1-phenyl-6-propyl-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]butan-1-one Formula: C25H34N6O MolecularWeight: 434.57706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)CC(C)C

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=N1)N4CCCN(CC4)C(=O)CC(C)C

InChI

InChI=1S/C25H34N6O/c1-5-10-21-26-24(30-14-9-13-29(15-16-30)22(32)17-18(2)3)23-19(4)28-31(25(23)27-21)20-11-7-6-8-12-20/h6-8,11-12,18H,5,9-10,13-17H2,1-4H3