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

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(pyrrolidin-2-ylmethoxy)purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(pyrrolidin-2-ylmethoxy)purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(2-pyrrolidinylmethoxy)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(pyrrolidin-2-ylmethoxy)purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-(pyrrolidin-2-ylmethoxy)xanthine Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCC3CCCN3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1OCC3CCCN3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H29N5O4/c1-16(2)11-13-28-20-21(26-23(28)33-15-18-10-7-12-25-18)27(3)24(32)29(22(20)31)14-19(30)17-8-5-4-6-9-17/h4-6,8-9,11,18,25H,7,10,12-15H2,1-3H3