7-methyl-8-(5-methylfuran-2-yl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-methyl-8-(5-methylfuran-2-yl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-methyl-8-(5-methyl-2-furyl)purine-2,6-dione CAS Name: 7-methyl-8-(5-methyl-2-furanyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-(5-methylfuran-2-yl)purine-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-(5-methyl-2-furyl)xanthine Formula: C18H16N4O3 MolecularWeight: 336.34464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC3=C(N2C)C(=O)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)C2=NC3=C(N2C)C(=O)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C18H16N4O3/c1-11-8-9-13(25-11)15-19-16-14(21(15)2)17(23)20-18(24)22(16)10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,20,23,24)