7-ethanoyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 7-ethanoyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 7-acetyl-8-(allylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-acetyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-acetyl-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 7-acetyl-8-(allylamino)-1,3-dimethyl-xanthine Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(=O)N1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C12H15N5O3/c1-5-6-13-11-14-9-8(17(11)7(2)18)10(19)16(4)12(20)15(9)3/h5H,1,6H2,2-4H3,(H,13,14)