1,3-dimethyl-9-(6-methylquinazolin-4-yl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-9-(6-methylquinazolin-4-yl)purine-2,6-dione Openeye Name: 1,3-dimethyl-9-(6-methylquinazolin-4-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-9-(6-methyl-4-quinazolinyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-9-(6-methylquinazolin-4-yl)purine-2,6-dione Traditional Name: 1,3-dimethyl-9-(6-methylquinazolin-4-yl)xanthine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=CN=C2N3C=NC4=C3N(C(=O)N(C4=O)C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=CN=C2N3C=NC4=C3N(C(=O)N(C4=O)C)C

InChI

InChI=1S/C16H14N6O2/c1-9-4-5-11-10(6-9)13(18-7-17-11)22-8-19-12-14(22)20(2)16(24)21(3)15(12)23/h4-8H,1-3H3