1,8-dimethyl-2-(1-oxidanylbutan-2-ylamino)-7-(phenylmethyl)purin-6-one

Systemtic Name: 1,8-dimethyl-2-(1-oxidanylbutan-2-ylamino)-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[1-(hydroxymethyl)propylamino]-1,8-dimethyl-purin-6-one CAS Name: 2-(1-hydroxybutan-2-ylamino)-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-(1-hydroxybutan-2-ylamino)-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-1,8-dimethyl-2-(1-methylolpropylamino)purin-6-one Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC1=NC2=C(C(=O)N1C)N(C(=N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCC(CO)NC1=NC2=C(C(=O)N1C)N(C(=N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2/c1-4-14(11-24)20-18-21-16-15(17(25)22(18)3)23(12(2)19-16)10-13-8-6-5-7-9-13/h5-9,14,24H,4,10-11H2,1-3H3,(H,20,21)