1-[(2,4-dichlorophenyl)methyl]-7-(2-oxidanylidenepropyl)-3-propyl-purine-2,6-dione

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-7-(2-oxidanylidenepropyl)-3-propyl-purine-2,6-dione Openeye Name: 7-acetonyl-1-[(2,4-dichlorophenyl)methyl]-3-propyl-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-7-(2-oxopropyl)-3-propylpurine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-7-(2-oxopropyl)-3-propylpurine-2,6-dione Traditional Name: 7-acetonyl-1-(2,4-dichlorobenzyl)-3-propyl-xanthine Formula: C18H18Cl2N4O3 MolecularWeight: 409.26652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N4O3/c1-3-6-23-16-15(22(10-21-16)8-11(2)25)17(26)24(18(23)27)9-12-4-5-13(19)7-14(12)20/h4-5,7,10H,3,6,8-9H2,1-2H3