4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-phenethyl-piperazine-2,6-dione

Systemtic Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-phenethyl-piperazine-2,6-dione Openeye Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-phenethyl-piperazine-2,6-dione CAS Name: 4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-phenethylpiperazine-2,6-dione IUPAC Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-phenethylpiperazine-2,6-dione Traditional Name: 4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-1-phenethyl-piperazine-2,6-quinone Formula: C18H18N6O2 MolecularWeight: 350.37452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC(=O)N(C(=O)C3)CCC4=CC=CC=C4

InChI

InChI=1S/C18H18N6O2/c1-22-17-14(9-21-22)18(20-12-19-17)23-10-15(25)24(16(26)11-23)8-7-13-5-3-2-4-6-13/h2-6,9,12H,7-8,10-11H2,1H3