1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione Openeye Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione CAS Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione IUPAC Name: 1-[(2-chlorophenyl)methyl]-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)purine-2,6-dione Traditional Name: 1-(2-chlorobenzyl)-3,7-dimethyl-8-(1H-pyrrol-2-ylmethylamino)xanthine Formula: C19H19ClN6O2 MolecularWeight: 398.84616

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CN3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CN3)N(C(=O)N(C2=O)CC4=CC=CC=C4Cl)C

InChI

InChI=1S/C19H19ClN6O2/c1-24-15-16(23-18(24)22-10-13-7-5-9-21-13)25(2)19(28)26(17(15)27)11-12-6-3-4-8-14(12)20/h3-9,21H,10-11H2,1-2H3,(H,22,23)