3-methyl-7-(2-phenoxyethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-phenoxyethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 8-(3-isopropoxypropylamino)-3-methyl-7-(2-phenoxyethyl)purine-2,6-dione CAS Name: 3-methyl-7-(2-phenoxyethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-phenoxyethyl)-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 8-(3-isopropoxypropylamino)-3-methyl-7-(2-phenoxyethyl)xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)OCCCNC1=NC2=C(N1CCOC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H27N5O4/c1-14(2)28-12-7-10-21-19-22-17-16(18(26)23-20(27)24(17)3)25(19)11-13-29-15-8-5-4-6-9-15/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,21,22)(H,23,26,27)