8-(5-chloranylthiophen-2-yl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(5-chloranylthiophen-2-yl)-7-(oxolan-2-ylmethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(5-chloro-2-thienyl)-7-(tetrahydrofuran-2-ylmethyl)purine-2,6-dione CAS Name: 8-(5-chloro-2-thiophenyl)-7-(2-oxolanylmethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(5-chlorothiophen-2-yl)-7-(oxolan-2-ylmethyl)purine-2,6-dione Traditional Name: 3-benzyl-8-(5-chloro-2-thienyl)-7-(tetrahydrofurfuryl)xanthine Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C3=C(N=C2C4=CC=C(S4)Cl)N(C(=O)NC3=O)CC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C3=C(N=C2C4=CC=C(S4)Cl)N(C(=O)NC3=O)CC5=CC=CC=C5

InChI

InChI=1S/C21H19ClN4O3S/c22-16-9-8-15(30-16)18-23-19-17(25(18)12-14-7-4-10-29-14)20(27)24-21(28)26(19)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,14H,4,7,10-12H2,(H,24,27,28)