8-[(E)-dimethylaminodiazenyl]-1,3-dimethyl-7-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]purine-2,6-dione

Systemtic Name: 8-[(E)-dimethylaminodiazenyl]-1,3-dimethyl-7-[1-oxidanyl-2-(4-phenylbutan-2-ylamino)ethyl]purine-2,6-dione Openeye Name: 8-[(E)-dimethylaminoazo]-7-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[(E)-dimethylaminoazo]-7-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[(E)-dimethylaminodiazenyl]-7-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-[(E)-dimethylaminoazo]-7-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-1,3-dimethyl-xanthine Formula: C21H30N8O3 MolecularWeight: 442.5147

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC(N2C3=C(N=C2N=NN(C)C)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC(N2C3=C(N=C2/N=N/N(C)C)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C21H30N8O3/c1-14(11-12-15-9-7-6-8-10-15)22-13-16(30)29-17-18(23-20(29)24-25-26(2)3)27(4)21(32)28(5)19(17)31/h6-10,14,16,22,30H,11-13H2,1-5H3/b25-24+