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

Systemtic Name: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-(p-anisylamino)xanthine Formula: C21H20ClN5O3 MolecularWeight: 425.8682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=C(C=C3)OC)CC4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN5O3/c1-26-18-17(19(28)25-21(26)29)27(12-14-5-3-4-6-16(14)22)20(24-18)23-11-13-7-9-15(30-2)10-8-13/h3-10H,11-12H2,1-2H3,(H,23,24)(H,25,28,29)