2-[(3,4-dichlorophenyl)methylamino]-7-(5-methylsulfanylpentyl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-methylsulfanylpentyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-methylsulfanylpentyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-[5-(methylthio)pentyl]-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-methylsulfanylpentyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-[5-(methylthio)pentyl]-3H-purin-6-one Formula: C18H21Cl2N5OS MolecularWeight: 426.36324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CSCCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N5OS/c1-27-8-4-2-3-7-25-11-22-16-15(25)17(26)24-18(23-16)21-10-12-5-6-13(19)14(20)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H2,21,23,24,26)