1-[(2-chloranyl-7-methyl-quinolin-3-yl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1-[(2-chloranyl-7-methyl-quinolin-3-yl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-1-[(2-chloro-7-methyl-3-quinolyl)methyl]-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 1-[(2-chloro-7-methyl-3-quinolinyl)methyl]-7-(2-methoxyethyl)-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-1-[(2-chloro-7-methylquinolin-3-yl)methyl]-7-(2-methoxyethyl)purine-2,6-dione Traditional Name: 3-benzyl-1-[(2-chloro-7-methyl-3-quinolyl)methyl]-7-(2-methoxyethyl)xanthine Formula: C26H24ClN5O3 MolecularWeight: 489.95346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CN3C(=O)C4=C(N=CN4CCOC)N(C3=O)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C26H24ClN5O3/c1-17-8-9-19-13-20(23(27)29-21(19)12-17)15-32-25(33)22-24(28-16-30(22)10-11-35-2)31(26(32)34)14-18-6-4-3-5-7-18/h3-9,12-13,16H,10-11,14-15H2,1-2H3