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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-methylsulfonylpentyl)-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-methylsulfonylpentyl)-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-methylsulfonylpentyl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-(5-methylsulfonylpentyl)-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-(5-mesylpentyl)-3H-purin-6-one Formula: C18H21Cl2N5O3S MolecularWeight: 458.36204

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CS(=O)(=O)CCCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N5O3S/c1-29(27,28)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)