7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Openeye Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(morpholinomethyl)purine-2,6-dione CAS Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(4-morpholinylmethyl)purine-2,6-dione IUPAC Name: 7-[(2,5-dimethylphenyl)methyl]-3-methyl-8-(morpholin-4-ylmethyl)purine-2,6-dione Traditional Name: 7-(2,5-dimethylbenzyl)-3-methyl-8-(morpholinomethyl)xanthine Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C(=NC3=C2C(=O)NC(=O)N3C)CN4CCOCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C(=NC3=C2C(=O)NC(=O)N3C)CN4CCOCC4

InChI

InChI=1S/C20H25N5O3/c1-13-4-5-14(2)15(10-13)11-25-16(12-24-6-8-28-9-7-24)21-18-17(25)19(26)22-20(27)23(18)3/h4-5,10H,6-9,11-12H2,1-3H3,(H,22,26,27)