1,3-dimethyl-7-[(3-methylquinoxalin-2-yl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(3-methylquinoxalin-2-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[(3-methylquinoxalin-2-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(3-methyl-2-quinoxalinyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(3-methylquinoxalin-2-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[(3-methylquinoxalin-2-yl)methyl]xanthine Formula: C17H16N6O2 MolecularWeight: 336.34794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CN3C=NC4=C3C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CN3C=NC4=C3C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C17H16N6O2/c1-10-13(20-12-7-5-4-6-11(12)19-10)8-23-9-18-15-14(23)16(24)22(3)17(25)21(15)2/h4-7,9H,8H2,1-3H3