9-[[2-methyl-3-(3-propan-2-ylphenyl)phenyl]methyl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one

Systemtic Name: 9-[[2-methyl-3-(3-propan-2-ylphenyl)phenyl]methyl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Openeye Name: 9-[[3-(3-isopropylphenyl)-2-methyl-phenyl]methyl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one CAS Name: 9-[[2-methyl-3-(3-propan-2-ylphenyl)phenyl]methyl]-2-[[(3R)-3-pyrrolidinyl]methylamino]-7H-purin-8-one IUPAC Name: 9-[[2-methyl-3-(3-propan-2-ylphenyl)phenyl]methyl]-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Traditional Name: 9-(3-m-cumenyl-2-methyl-benzyl)-2-[[(3R)-pyrrolidin-3-yl]methylamino]-7H-purin-8-one Formula: C27H32N6O MolecularWeight: 456.58258

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O/c1-17(2)20-6-4-7-21(12-20)23-9-5-8-22(18(23)3)16-33-25-24(31-27(33)34)15-30-26(32-25)29-14-19-10-11-28-13-19/h4-9,12,15,17,19,28H,10-11,13-14,16H2,1-3H3,(H,31,34)(H,29,30,32)/t19-/m1/s1