4-(3-methylphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(3-methylphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(3-methylphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one CAS Name: 4-(3-methylphenoxy)-1-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(3-methylphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(3-methylphenoxy)-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]butan-1-one Formula: C21H26N6O2 MolecularWeight: 394.47014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C21H26N6O2/c1-16-5-3-6-17(13-16)29-12-4-7-19(28)26-8-10-27(11-9-26)21-18-14-24-25(2)20(18)22-15-23-21/h3,5-6,13-15H,4,7-12H2,1-2H3