3-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl]-4-keto-phthalazine-1-carboxylate Formula: C19H17N6O5- MolecularWeight: 409.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C19H18N6O5/c1-22-10-20-15-14(22)17(27)24(19(30)23(15)2)8-5-9-25-16(26)12-7-4-3-6-11(12)13(21-25)18(28)29/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,28,29)/p-1