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

Systemtic Name: 2-[(3,4-dichlorophenyl)methylamino]-7-[(5R)-5-oxidanylhexyl]-3H-purin-6-one Openeye Name: 2-[(3,4-dichlorophenyl)methylamino]-7-[(5R)-5-hydroxyhexyl]-3H-purin-6-one CAS Name: 2-[(3,4-dichlorophenyl)methylamino]-7-[(5R)-5-hydroxyhexyl]-3H-purin-6-one IUPAC Name: 2-[(3,4-dichlorophenyl)methylamino]-7-[(5R)-5-hydroxyhexyl]-3H-purin-6-one Traditional Name: 2-[(3,4-dichlorobenzyl)amino]-7-[(5R)-5-hydroxyhexyl]-3H-purin-6-one Formula: C18H21Cl2N5O2 MolecularWeight: 410.29764

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl)O

Isomeric SMILES

C[C@H](CCCCN1C=NC2=C1C(=O)N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl)O

InChI

InChI=1S/C18H21Cl2N5O2/c1-11(26)4-2-3-7-25-10-22-16-15(25)17(27)24-18(23-16)21-9-12-5-6-13(19)14(20)8-12/h5-6,8,10-11,26H,2-4,7,9H2,1H3,(H2,21,23,24,27)/t11-/m1/s1