3,7-dimethyl-8-(2-methylpropylamino)-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-(2-methylpropylamino)-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(isobutylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-8-(2-methylpropylamino)-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3,7-dimethyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 1-benzyl-8-(isobutylamino)-3,7-dimethyl-xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-12(2)10-19-17-20-15-14(21(17)3)16(24)23(18(25)22(15)4)11-13-8-6-5-7-9-13/h5-9,12H,10-11H2,1-4H3,(H,19,20)