3-[2-methyl-3-[[8-oxidanylidene-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]phenyl]benzamide

Systemtic Name: 3-[2-methyl-3-[[8-oxidanylidene-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]phenyl]benzamide Openeye Name: 3-[2-methyl-3-[[8-oxo-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]phenyl]benzamide CAS Name: 3-[2-methyl-3-[[8-oxo-2-[[(3R)-3-pyrrolidinyl]methylamino]-7H-purin-9-yl]methyl]phenyl]benzamide IUPAC Name: 3-[2-methyl-3-[[8-oxo-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]phenyl]benzamide Traditional Name: 3-[3-[[8-keto-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]-2-methyl-phenyl]benzamide Formula: C25H27N7O2 MolecularWeight: 457.52758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1CN2C3=NC(=NC=C3NC2=O)NCC4CCNC4)C5=CC(=CC=C5)C(=O)N

Isomeric SMILES

CC1=C(C=CC=C1CN2C3=NC(=NC=C3NC2=O)NC[C@@H]4CCNC4)C5=CC(=CC=C5)C(=O)N

InChI

InChI=1S/C25H27N7O2/c1-15-19(6-3-7-20(15)17-4-2-5-18(10-17)22(26)33)14-32-23-21(30-25(32)34)13-29-24(31-23)28-12-16-8-9-27-11-16/h2-7,10,13,16,27H,8-9,11-12,14H2,1H3,(H2,26,33)(H,30,34)(H,28,29,31)/t16-/m1/s1