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

Systemtic Name: 1,3-dimethyl-8-(4-methyl-1-oxidanylidene-phthalazin-2-yl)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(4-methyl-1-oxo-phthalazin-2-yl)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-methyl-1-oxo-2-phthalazinyl)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-methyl-1-oxophthalazin-2-yl)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(1-keto-4-methyl-phthalazin-2-yl)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C25H24N6O3 MolecularWeight: 456.49646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C2=CC=CC=C12)C3=NC4=C(N3CCCC5=CC=CC=C5)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=NN(C(=O)C2=CC=CC=C12)C3=NC4=C(N3CCCC5=CC=CC=C5)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C25H24N6O3/c1-16-18-13-7-8-14-19(18)22(32)31(27-16)24-26-21-20(23(33)29(3)25(34)28(21)2)30(24)15-9-12-17-10-5-4-6-11-17/h4-8,10-11,13-14H,9,12,15H2,1-3H3