(3S)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3S)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3S)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3S)-3-[4-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3S)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3S)-3-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C14H19N6O2+ MolecularWeight: 303.33966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)C4CCOC4=O

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)[C@H]4CCOC4=O

InChI

InChI=1S/C14H18N6O2/c1-18-12-10(8-17-18)13(16-9-15-12)20-5-3-19(4-6-20)11-2-7-22-14(11)21/h8-9,11H,2-7H2,1H3/p+1/t11-/m0/s1