7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(phenethylamino)xanthine Formula: C21H20ClN5O2 MolecularWeight: 409.8688

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN5O2/c1-26-18-17(19(28)25-21(26)29)27(13-15-9-5-6-10-16(15)22)20(24-18)23-12-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,23,24)(H,25,28,29)