6-azanyl-2-[3-(dimethylamino)propylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one

Systemtic Name: 6-azanyl-2-[3-(dimethylamino)propylsulfanyl]-9-(phenylmethyl)-7H-purin-8-one Openeye Name: 6-amino-9-benzyl-2-[3-(dimethylamino)propylsulfanyl]-7H-purin-8-one CAS Name: 6-amino-2-[3-(dimethylamino)propylthio]-9-(phenylmethyl)-7H-purin-8-one IUPAC Name: 6-amino-9-benzyl-2-[3-(dimethylamino)propylsulfanyl]-7H-purin-8-one Traditional Name: 6-amino-9-benzyl-2-[3-(dimethylamino)propylthio]-7H-purin-8-one Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCSC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C17H22N6OS/c1-22(2)9-6-10-25-16-20-14(18)13-15(21-16)23(17(24)19-13)11-12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,19,24)(H2,18,20,21)