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

Systemtic Name: 8-(hexylamino)-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-(hexylamino)-3-methyl-purine-2,6-dione CAS Name: 8-(hexylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-(hexylamino)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-(hexylamino)-3-methyl-xanthine Formula: C15H23N5O2 MolecularWeight: 305.37542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC=C)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H23N5O2/c1-4-6-7-8-9-16-14-17-12-11(20(14)10-5-2)13(21)18-15(22)19(12)3/h5H,2,4,6-10H2,1,3H3,(H,16,17)(H,18,21,22)