7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(3-isopropoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-[(Z)-3-chlorobut-2-enyl]-8-(3-isopropoxypropylamino)-3-methyl-xanthine Formula: C16H24ClN5O3 MolecularWeight: 369.84646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC=C(C)Cl)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1C/C=C(/C)\Cl)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H24ClN5O3/c1-10(2)25-9-5-7-18-15-19-13-12(22(15)8-6-11(3)17)14(23)20-16(24)21(13)4/h6,10H,5,7-9H2,1-4H3,(H,18,19)(H,20,23,24)/b11-6-