3-[3-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]propanoate

Systemtic Name: 3-[3-methyl-8-morpholin-4-yl-2,6-bis(oxidanylidene)purin-7-yl]propanoate Openeye Name: 3-(3-methyl-8-morpholino-2,6-dioxo-purin-7-yl)propanoate CAS Name: 3-[3-methyl-8-(4-morpholinyl)-2,6-dioxo-7-purinyl]propanoate IUPAC Name: 3-(3-methyl-8-morpholin-4-yl-2,6-dioxopurin-7-yl)propanoate Traditional Name: 3-(2,6-diketo-3-methyl-8-morpholino-purin-7-yl)propionate Formula: C13H16N5O5- MolecularWeight: 322.29664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCC(=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCOCC3)CCC(=O)[O-]

InChI

InChI=1S/C13H17N5O5/c1-16-10-9(11(21)15-13(16)22)18(3-2-8(19)20)12(14-10)17-4-6-23-7-5-17/h2-7H2,1H3,(H,19,20)(H,15,21,22)/p-1