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

Systemtic Name: 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-1,3-dimethyl-7-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-furfurylamino)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC4=CC=CO4)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NCC4=CC=CO4)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C20H21N5O3/c1-13-6-8-14(9-7-13)12-25-16-17(23(2)20(27)24(3)18(16)26)22-19(25)21-11-15-5-4-10-28-15/h4-10H,11-12H2,1-3H3,(H,21,22)