[3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [3-butyl-2,6-bis(oxidanylidene)-7-propyl-purin-8-yl]methyl 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: (3-butyl-2,6-dioxo-7-propyl-purin-8-yl)methyl 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid (3-butyl-2,6-dioxo-7-propyl-8-purinyl)methyl ester IUPAC Name: (3-butyl-2,6-dioxo-7-propylpurin-8-yl)methyl 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid (3-butyl-2,6-diketo-7-propyl-purin-8-yl)methyl ester Formula: C25H30N6O5 MolecularWeight: 494.5429

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCC)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CCC)CCC

InChI

InChI=1S/C25H30N6O5/c1-4-7-14-30-21-20(22(32)27-25(30)35)29(12-5-2)18(26-21)15-36-24(34)19-16-10-8-9-11-17(16)23(33)31(28-19)13-6-3/h8-11H,4-7,12-15H2,1-3H3,(H,27,32,35)