3-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]propanal

Systemtic Name: 3-[1,3-dimethyl-2,6-bis(oxidanylidene)-8-piperazin-1-yl-purin-7-yl]propanal Openeye Name: 3-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-yl-purin-7-yl)propanal CAS Name: 3-[1,3-dimethyl-2,6-dioxo-8-(1-piperazinyl)-7-purinyl]propanal IUPAC Name: 3-(1,3-dimethyl-2,6-dioxo-8-piperazin-1-ylpurin-7-yl)propanal Traditional Name: 3-(2,6-diketo-1,3-dimethyl-8-piperazino-purin-7-yl)propionaldehyde Formula: C14H20N6O3 MolecularWeight: 320.347

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CCC=O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCNCC3)CCC=O

InChI

InChI=1S/C14H20N6O3/c1-17-11-10(12(22)18(2)14(17)23)20(6-3-9-21)13(16-11)19-7-4-15-5-8-19/h9,15H,3-8H2,1-2H3