1,3,7-trimethyl-8-[1-[(2-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanyl-purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[1-[(2-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanyl-purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[1-[(2-methyl-1-naphthyl)methyl]benzimidazol-2-yl]sulfanyl-purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[[1-[(2-methyl-1-naphthalenyl)methyl]-2-benzimidazolyl]thio]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[1-[(2-methylnaphthalen-1-yl)methyl]benzimidazol-2-yl]sulfanylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[[1-[(2-methyl-1-naphthyl)methyl]benzimidazol-2-yl]thio]xanthine Formula: C27H24N6O2S MolecularWeight: 496.58346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C=C1)CN3C4=CC=CC=C4N=C3SC5=NC6=C(N5C)C(=O)N(C(=O)N6C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2C=C1)CN3C4=CC=CC=C4N=C3SC5=NC6=C(N5C)C(=O)N(C(=O)N6C)C

InChI

InChI=1S/C27H24N6O2S/c1-16-13-14-17-9-5-6-10-18(17)19(16)15-33-21-12-8-7-11-20(21)28-26(33)36-25-29-23-22(30(25)2)24(34)32(4)27(35)31(23)3/h5-14H,15H2,1-4H3