1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-1,7-bis[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 1,7-bis[(4-chlorophenyl)methyl]-3-methyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-1,7-bis[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(benzylamino)-1,7-bis(4-chlorobenzyl)-3-methyl-xanthine Formula: C27H23Cl2N5O2 MolecularWeight: 520.40982

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)NCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)NCC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H23Cl2N5O2/c1-32-24-23(25(35)34(27(32)36)17-20-9-13-22(29)14-10-20)33(16-19-7-11-21(28)12-8-19)26(31-24)30-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3,(H,30,31)