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

Systemtic Name: 7-[(Z)-3-chloranylbut-2-enyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-[(Z)-3-chlorobut-2-enyl]-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-[(Z)-3-chlorobut-2-enyl]-3-methyl-xanthine Formula: C13H16ClN5O2 MolecularWeight: 309.75144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C)Cl

Isomeric SMILES

C/C(=C/CN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C)/Cl

InChI

InChI=1S/C13H16ClN5O2/c1-4-6-15-12-16-10-9(19(12)7-5-8(2)14)11(20)17-13(21)18(10)3/h4-5H,1,6-7H2,2-3H3,(H,15,16)(H,17,20,21)/b8-5-