7-[[2,6-bis(chloranyl)phenyl]methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[[2,6-bis(chloranyl)phenyl]methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-[(2,6-dichlorophenyl)methyl]-3-methyl-8-(morpholinomethyl)purine-2,6-dione CAS Name: 7-[(2,6-dichlorophenyl)methyl]-3-methyl-8-(4-morpholinylmethyl)purine-2,6-dione IUPAC Name: 7-[(2,6-dichlorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(2,6-dichlorobenzyl)-3-methyl-8-(morpholinomethyl)xanthine Formula: C18H19Cl2N5O3 MolecularWeight: 424.28116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C18H19Cl2N5O3/c1-23-16-15(17(26)22-18(23)27)25(9-11-12(19)3-2-4-13(11)20)14(21-16)10-24-5-7-28-8-6-24/h2-4H,5-10H2,1H3,(H,22,26,27)