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

Systemtic Name: 8-(2-azanylethylamino)-1,7-bis[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(2-aminoethylamino)-1,7-bis[(4-chlorophenyl)methyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-aminoethylamino)-1,7-bis[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-aminoethylamino)-1,7-bis[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-aminoethylamino)-1,7-bis(4-chlorobenzyl)-3-methyl-xanthine Formula: C22H22Cl2N6O2 MolecularWeight: 473.35508

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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)NCCN)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)NCCN)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22Cl2N6O2/c1-28-19-18(20(31)30(22(28)32)13-15-4-8-17(24)9-5-15)29(21(27-19)26-11-10-25)12-14-2-6-16(23)7-3-14/h2-9H,10-13,25H2,1H3,(H,26,27)