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

Systemtic Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(morpholinomethyl)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(4-morpholinylmethyl)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-3-methyl-8-(morpholinomethyl)xanthine Formula: C18H20ClN5O3 MolecularWeight: 389.8361

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)CN3CCOCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5O3/c1-22-16-15(17(25)21-18(22)26)24(10-12-2-4-13(19)5-3-12)14(20-16)11-23-6-8-27-9-7-23/h2-5H,6-11H2,1H3,(H,21,25,26)