8-chloranyl-1,3-bis(furan-3-ylmethyl)-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-bis(furan-3-ylmethyl)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-bis(3-furylmethyl)purine-2,6-dione CAS Name: 8-chloro-1,3-bis(3-furanylmethyl)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-bis(furan-3-ylmethyl)purine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-bis(3-furfuryl)xanthine Formula: C22H17ClN4O4 MolecularWeight: 436.84778

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4=COC=C4)CC5=COC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)CC4=COC=C4)CC5=COC=C5

InChI

InChI=1S/C22H17ClN4O4/c23-21-24-19-18(25(21)10-15-4-2-1-3-5-15)20(28)27(12-17-7-9-31-14-17)22(29)26(19)11-16-6-8-30-13-16/h1-9,13-14H,10-12H2