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

Systemtic Name: 8-(furan-2-ylmethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(2-furylmethylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(2-furanylmethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(furan-2-ylmethylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(2-furfurylamino)-3-methyl-7-(3-methylbenzyl)xanthine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=CO4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NCC4=CC=CO4)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H19N5O3/c1-12-5-3-6-13(9-12)11-24-15-16(23(2)19(26)22-17(15)25)21-18(24)20-10-14-7-4-8-27-14/h3-9H,10-11H2,1-2H3,(H,20,21)(H,22,25,26)