2-azanyl-1-[4-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one

Systemtic Name: 2-azanyl-1-[4-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one Openeye Name: 2-amino-1-[4-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one CAS Name: 2-amino-1-[4-[6-(dimethylamino)-9-purinyl]-2-(hydroxymethyl)-1-pyrrolidinyl]-3-(4-methoxyphenyl)-1-propanone IUPAC Name: 2-amino-1-[4-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one Traditional Name: 2-amino-1-[4-[6-(dimethylamino)purin-9-yl]-2-methylol-pyrrolidino]-3-(4-methoxyphenyl)propan-1-one Formula: C22H29N7O3 MolecularWeight: 439.51076

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2C3CC(N(C3)C(=O)C(CC4=CC=C(C=C4)OC)N)CO

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2C3CC(N(C3)C(=O)C(CC4=CC=C(C=C4)OC)N)CO

InChI

InChI=1S/C22H29N7O3/c1-27(2)20-19-21(25-12-24-20)29(13-26-19)15-9-16(11-30)28(10-15)22(31)18(23)8-14-4-6-17(32-3)7-5-14/h4-7,12-13,15-16,18,30H,8-11,23H2,1-3H3