1,3-dimethyl-7-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione Openeye Name: 7-[(4-isopropylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-propan-2-ylphenyl)methyl]purine-2,6-dione Traditional Name: 7-(4-isopropylbenzyl)-1,3-dimethyl-xanthine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H20N4O2/c1-11(2)13-7-5-12(6-8-13)9-21-10-18-15-14(21)16(22)20(4)17(23)19(15)3/h5-8,10-11H,9H2,1-4H3