1,3-dimethyl-7-(3-methylbutyl)-8-(phenethylamino)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-isopentyl-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(phenethylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-(3-methylbutyl)-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-isoamyl-1,3-dimethyl-8-(phenethylamino)xanthine Formula: C20H27N5O2 MolecularWeight: 369.46068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)CCN1C2=C(N=C1NCCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H27N5O2/c1-14(2)11-13-25-16-17(23(3)20(27)24(4)18(16)26)22-19(25)21-12-10-15-8-6-5-7-9-15/h5-9,14H,10-13H2,1-4H3,(H,21,22)