3-methyl-7-propan-2-yl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-propan-2-yl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-propan-2-yl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-propan-2-yl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-isopropyl-3-methyl-xanthine Formula: C12H17N5O2 MolecularWeight: 263.29568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C12H17N5O2/c1-5-6-13-11-14-9-8(17(11)7(2)3)10(18)15-12(19)16(9)4/h5,7H,1,6H2,2-4H3,(H,13,14)(H,15,18,19)