7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(4-chlorophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-(4-chlorobenzyl)-1,3-dimethyl-xanthine Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC=C)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18ClN5O2/c1-4-9-19-16-20-14-13(15(24)22(3)17(25)21(14)2)23(16)10-11-5-7-12(18)8-6-11/h4-8H,1,9-10H2,2-3H3,(H,19,20)