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

Systemtic Name: 1,3-dimethyl-8-(3-methylbutylamino)-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(isopentylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylbutylamino)-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(3-methylbutylamino)purine-2,6-dione Traditional Name: 7-benzyl-8-(isoamylamino)-1,3-dimethyl-xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)CCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H25N5O2/c1-13(2)10-11-20-18-21-16-15(17(25)23(4)19(26)22(16)3)24(18)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3,(H,20,21)