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

Systemtic Name: 7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-8-[(phenylmethyl)-propan-2-yl-amino]purine-2,6-dione Openeye Name: 8-[benzyl(isopropyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-[(phenylmethyl)-propan-2-ylamino]purine-2,6-dione IUPAC Name: 8-[benzyl(propan-2-yl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methylpurine-2,6-dione Traditional Name: 8-[benzyl(isopropyl)amino]-7-[(Z)-2-chlorobut-2-enyl]-3-methyl-xanthine Formula: C20H24ClN5O2 MolecularWeight: 401.88986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1C2=C(N=C1N(CC3=CC=CC=C3)C(C)C)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C=C(/CN1C2=C(N=C1N(CC3=CC=CC=C3)C(C)C)N(C(=O)NC2=O)C)\Cl

InChI

InChI=1S/C20H24ClN5O2/c1-5-15(21)12-26-16-17(24(4)20(28)23-18(16)27)22-19(26)25(13(2)3)11-14-9-7-6-8-10-14/h5-10,13H,11-12H2,1-4H3,(H,23,27,28)/b15-5-