7-methyl-8-nitro-1,3-bis(prop-2-enyl)purine-2,6-dione

Systemtic Name: 7-methyl-8-nitro-1,3-bis(prop-2-enyl)purine-2,6-dione Openeye Name: 1,3-diallyl-7-methyl-8-nitro-purine-2,6-dione CAS Name: 7-methyl-8-nitro-1,3-bis(prop-2-enyl)purine-2,6-dione IUPAC Name: 7-methyl-8-nitro-1,3-bis(prop-2-enyl)purine-2,6-dione Traditional Name: 1,3-diallyl-7-methyl-8-nitro-xanthine Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC=C)CC=C

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)CC=C)CC=C

InChI

InChI=1S/C12H13N5O4/c1-4-6-15-9-8(14(3)11(13-9)17(20)21)10(18)16(7-5-2)12(15)19/h4-5H,1-2,6-7H2,3H3