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

Systemtic Name: 8-(3-azanylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-(3-aminopropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-(3-aminopropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-(3-aminopropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-(3-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(=CCN1C2=C(N=C1OCCCN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1OCCCN)N(C(=O)N(C2=O)CC(=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C22H27N5O4/c1-15(2)10-12-26-18-19(24-21(26)31-13-7-11-23)25(3)22(30)27(20(18)29)14-17(28)16-8-5-4-6-9-16/h4-6,8-10H,7,11-14,23H2,1-3H3