3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[[(3S)-pyrrolidin-3-yl]methoxy]purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[[(3S)-pyrrolidin-3-yl]methoxy]purine-2,6-dione Openeye Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[[(3S)-pyrrolidin-3-yl]methoxy]purine-2,6-dione CAS Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[[(3S)-3-pyrrolidinyl]methoxy]purine-2,6-dione IUPAC Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[[(3S)-pyrrolidin-3-yl]methoxy]purine-2,6-dione Traditional Name: 3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-8-[[(3S)-pyrrolidin-3-yl]methoxy]xanthine Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCC3CCNC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1OC[C@H]3CCNC3)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C24H29N5O4/c1-16(2)10-12-28-20-21(26-23(28)33-15-17-9-11-25-13-17)27(3)24(32)29(22(20)31)14-19(30)18-7-5-4-6-8-18/h4-8,10,17,25H,9,11-15H2,1-3H3/t17-/m0/s1