2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazinyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-keto-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]propyl]-1H-quinazolin-4-one Formula: C21H22N8O2 MolecularWeight: 418.45178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CCN(CC3)C(=O)CCC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C21H22N8O2/c1-27-19-15(12-24-27)20(23-13-22-19)29-10-8-28(9-11-29)18(30)7-6-17-25-16-5-3-2-4-14(16)21(31)26-17/h2-5,12-13H,6-11H2,1H3,(H,25,26,31)