1,3-dimethyl-8-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-7-phenethyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-7-phenethyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methyl-1-oxo-phthalazin-2-yl)-7-phenethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-oxo-2-phthalazinyl)-7-phenethylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methyl-1-oxophthalazin-2-yl)-7-phenethylpurine-2,6-dione Traditional Name: 8-(1-keto-4-methyl-phthalazin-2-yl)-1,3-dimethyl-7-phenethyl-xanthine Formula: C24H22N6O3 MolecularWeight: 442.46988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=NC4=C(N3CCC5=CC=CC=C5)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=NC4=C(N3CCC5=CC=CC=C5)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C24H22N6O3/c1-15-17-11-7-8-12-18(17)21(31)30(26-15)23-25-20-19(22(32)28(3)24(33)27(20)2)29(23)14-13-16-9-5-4-6-10-16/h4-12H,13-14H2,1-3H3