7-(furan-2-ylmethyl)-8-(3-methylthiophen-2-yl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 7-(furan-2-ylmethyl)-8-(3-methylthiophen-2-yl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-7-(2-furylmethyl)-8-(3-methyl-2-thienyl)purine-2,6-dione CAS Name: 7-(2-furanylmethyl)-8-(3-methyl-2-thiophenyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-7-(furan-2-ylmethyl)-8-(3-methylthiophen-2-yl)purine-2,6-dione Traditional Name: 3-benzyl-7-(2-furfuryl)-8-(3-methyl-2-thienyl)xanthine Formula: C22H18N4O3S MolecularWeight: 418.46832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2=NC3=C(N2CC4=CC=CO4)C(=O)NC(=O)N3CC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC=C1)C2=NC3=C(N2CC4=CC=CO4)C(=O)NC(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C22H18N4O3S/c1-14-9-11-30-18(14)20-23-19-17(25(20)13-16-8-5-10-29-16)21(27)24-22(28)26(19)12-15-6-3-2-4-7-15/h2-11H,12-13H2,1H3,(H,24,27,28)