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

Systemtic Name: 8-ethyl-7-methyl-1-[(4-propan-2-ylphenyl)methyl]-3-propyl-purine-2,6-dione Openeye Name: 8-ethyl-1-[(4-isopropylphenyl)methyl]-7-methyl-3-propyl-purine-2,6-dione CAS Name: 8-ethyl-7-methyl-1-[(4-propan-2-ylphenyl)methyl]-3-propylpurine-2,6-dione IUPAC Name: 8-ethyl-7-methyl-1-[(4-propan-2-ylphenyl)methyl]-3-propylpurine-2,6-dione Traditional Name: 8-ethyl-1-(4-isopropylbenzyl)-7-methyl-3-propyl-xanthine Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C(C)C)N(C(=N2)CC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)C(C)C)N(C(=N2)CC)C

InChI

InChI=1S/C21H28N4O2/c1-6-12-24-19-18(23(5)17(7-2)22-19)20(26)25(21(24)27)13-15-8-10-16(11-9-15)14(3)4/h8-11,14H,6-7,12-13H2,1-5H3