8-(3-azanyl-2-methyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-(3-azanyl-2-methyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-(3-amino-2-methyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-(3-amino-2-methylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-(3-amino-2-methylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-(3-amino-2-methyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN)COC1=NC2=C(N1CC=C(C)C)C(=O)N(C(=O)N2C)CC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(CN)COC1=NC2=C(N1CC=C(C)C)C(=O)N(C(=O)N2C)CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H29N5O4/c1-15(2)10-11-27-19-20(25-22(27)32-14-16(3)12-24)26(4)23(31)28(21(19)30)13-18(29)17-8-6-5-7-9-17/h5-10,16H,11-14,24H2,1-4H3