8-[(3,4-dichlorophenyl)methylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione

Systemtic Name: 8-[(3,4-dichlorophenyl)methylamino]-3-methyl-1-(5-oxidanylhexyl)-7H-purine-2,6-dione Openeye Name: 8-[(3,4-dichlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione CAS Name: 8-[(3,4-dichlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione IUPAC Name: 8-[(3,4-dichlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-dione Traditional Name: 8-[(3,4-dichlorobenzyl)amino]-1-(5-hydroxyhexyl)-3-methyl-7H-purine-2,6-quinone Formula: C19H23Cl2N5O3 MolecularWeight: 440.32362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2)NCC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C)O

InChI

InChI=1S/C19H23Cl2N5O3/c1-11(27)5-3-4-8-26-17(28)15-16(25(2)19(26)29)24-18(23-15)22-10-12-6-7-13(20)14(21)9-12/h6-7,9,11,27H,3-5,8,10H2,1-2H3,(H2,22,23,24)