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

Systemtic Name: 3-methyl-8-(3-oxidanylpropylamino)-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(3-hydroxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(3-hydroxypropylamino)-3-methyl-xanthine Formula: C12H17N5O3 MolecularWeight: 279.29508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O3/c1-3-6-17-8-9(14-11(17)13-5-4-7-18)16(2)12(20)15-10(8)19/h3,18H,1,4-7H2,2H3,(H,13,14)(H,15,19,20)