8-[2-(furan-2-ylmethylidene)hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-[2-(furan-2-ylmethylidene)hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-[2-(2-furylmethylene)hydrazino]-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-[2-(2-furanylmethylidene)hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-[2-(furan-2-ylmethylidene)hydrazinyl]-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-[N'-(2-furfurylidene)hydrazino]-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CC=CO4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NN=CC4=CC=CO4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H20N6O3/c1-13-6-8-14(9-7-13)12-26-16-17(24(2)20(28)25(3)18(16)27)22-19(26)23-21-11-15-5-4-10-29-15/h4-11H,12H2,1-3H3,(H,22,23)