7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-8-[(2-methyl-1-phenyl-propyl)amino]purine-2,6-dione

Systemtic Name: 7-[(Z)-2-chloranylbut-2-enyl]-3-methyl-8-[(2-methyl-1-phenyl-propyl)amino]purine-2,6-dione Openeye Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-[(2-methyl-1-phenyl-propyl)amino]purine-2,6-dione CAS Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-[(2-methyl-1-phenylpropyl)amino]purine-2,6-dione IUPAC Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-[(2-methyl-1-phenylpropyl)amino]purine-2,6-dione Traditional Name: 7-[(Z)-2-chlorobut-2-enyl]-3-methyl-8-[(2-methyl-1-phenyl-propyl)amino]xanthine Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CN1C2=C(N=C1NC(C3=CC=CC=C3)C(C)C)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C=C(/CN1C2=C(N=C1NC(C3=CC=CC=C3)C(C)C)N(C(=O)NC2=O)C)\Cl

InChI

InChI=1S/C20H24ClN5O2/c1-5-14(21)11-26-16-17(25(4)20(28)24-18(16)27)23-19(26)22-15(12(2)3)13-9-7-6-8-10-13/h5-10,12,15H,11H2,1-4H3,(H,22,23)(H,24,27,28)/b14-5-