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

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-benzyl-8-(3-isopropoxypropylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-benzyl-8-(3-isopropoxypropylamino)-1,3-dimethyl-xanthine Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H27N5O3/c1-14(2)28-12-8-11-21-19-22-17-16(18(26)24(4)20(27)23(17)3)25(19)13-15-9-6-5-7-10-15/h5-7,9-10,14H,8,11-13H2,1-4H3,(H,21,22)