1-cyclopropyl-7-ethyl-3-(4-propan-2-ylphenyl)purine-2,6-dione

Systemtic Name: 1-cyclopropyl-7-ethyl-3-(4-propan-2-ylphenyl)purine-2,6-dione Openeye Name: 1-cyclopropyl-7-ethyl-3-(4-isopropylphenyl)purine-2,6-dione CAS Name: 1-cyclopropyl-7-ethyl-3-(4-propan-2-ylphenyl)purine-2,6-dione IUPAC Name: 1-cyclopropyl-7-ethyl-3-(4-propan-2-ylphenyl)purine-2,6-dione Traditional Name: 1-cyclopropyl-7-ethyl-3-p-cumenyl-xanthine Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)C(C)C)C4CC4

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2C3=CC=C(C=C3)C(C)C)C4CC4

InChI

InChI=1S/C19H22N4O2/c1-4-21-11-20-17-16(21)18(24)23(15-9-10-15)19(25)22(17)14-7-5-13(6-8-14)12(2)3/h5-8,11-12,15H,4,9-10H2,1-3H3