3-methyl-7-(3-methylbutyl)-8-(propylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-(propylamino)purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(propylamino)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbutyl)-8-(propylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbutyl)-8-(propylamino)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(propylamino)xanthine Formula: C14H23N5O2 MolecularWeight: 293.36472

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCNC1=NC2=C(N1CCC(C)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C14H23N5O2/c1-5-7-15-13-16-11-10(19(13)8-6-9(2)3)12(20)17-14(21)18(11)4/h9H,5-8H2,1-4H3,(H,15,16)(H,17,20,21)