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

Systemtic Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[(2-chlorophenyl)methylamino]-3-methyl-purine-2,6-dione CAS Name: 8-[(2-chlorophenyl)methylamino]-3-methyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[(2-chlorophenyl)methylamino]-3-methylpurine-2,6-dione Traditional Name: 7-benzyl-8-[(2-chlorobenzyl)amino]-3-methyl-xanthine Formula: C20H18ClN5O2 MolecularWeight: 395.84222

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3Cl)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CC=C3Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H18ClN5O2/c1-25-17-16(18(27)24-20(25)28)26(12-13-7-3-2-4-8-13)19(23-17)22-11-14-9-5-6-10-15(14)21/h2-10H,11-12H2,1H3,(H,22,23)(H,24,27,28)