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

Systemtic Name: 3-methyl-7-prop-2-enyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 7-allyl-8-(allylamino)-3-methyl-purine-2,6-dione CAS Name: 3-methyl-7-prop-2-enyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-prop-2-enyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 7-allyl-8-(allylamino)-3-methyl-xanthine Formula: C12H15N5O2 MolecularWeight: 261.2798

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC=C)CC=C

InChI

InChI=1S/C12H15N5O2/c1-4-6-13-11-14-9-8(17(11)7-5-2)10(18)15-12(19)16(9)3/h4-5H,1-2,6-7H2,3H3,(H,13,14)(H,15,18,19)