3-(2,4-dimethylphenyl)-1-propan-2-yl-7H-purine-2,6-dione

Systemtic Name: 3-(2,4-dimethylphenyl)-1-propan-2-yl-7H-purine-2,6-dione Openeye Name: 3-(2,4-dimethylphenyl)-1-isopropyl-7H-purine-2,6-dione CAS Name: 3-(2,4-dimethylphenyl)-1-propan-2-yl-7H-purine-2,6-dione IUPAC Name: 3-(2,4-dimethylphenyl)-1-propan-2-yl-7H-purine-2,6-dione Traditional Name: 3-(2,4-dimethylphenyl)-1-isopropyl-7H-purine-2,6-quinone Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C(=O)N(C2=O)C(C)C)NC=N3)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C(=O)N(C2=O)C(C)C)NC=N3)C

InChI

InChI=1S/C16H18N4O2/c1-9(2)19-15(21)13-14(18-8-17-13)20(16(19)22)12-6-5-10(3)7-11(12)4/h5-9H,1-4H3,(H,17,18)