8-[(2R)-2-azanylpropoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-[(2R)-2-azanylpropoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-[(2R)-2-aminopropoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-[(2R)-2-aminopropoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-[(2R)-2-aminopropoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-[(2R)-2-aminopropoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](COC1=NC2=C(N1CC=C(C)C)C(=O)N(C(=O)N2C)CC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C22H27N5O4/c1-14(2)10-11-26-18-19(24-21(26)31-13-15(3)23)25(4)22(30)27(20(18)29)12-17(28)16-8-6-5-7-9-16/h5-10,15H,11-13,23H2,1-4H3/t15-/m1/s1