6-[(3,4-dichlorophenyl)methylamino]-9-(2-oxidanylpropyl)-7,8-dihydropurine-2-carbonitrile

Systemtic Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(2-oxidanylpropyl)-7,8-dihydropurine-2-carbonitrile Openeye Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(2-hydroxypropyl)-7,8-dihydropurine-2-carbonitrile CAS Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(2-hydroxypropyl)-7,8-dihydropurine-2-carbonitrile IUPAC Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(2-hydroxypropyl)-7,8-dihydropurine-2-carbonitrile Traditional Name: 6-[(3,4-dichlorobenzyl)amino]-9-(2-hydroxypropyl)-7,8-dihydropurine-2-carbonitrile Formula: C16H16Cl2N6O MolecularWeight: 379.24384

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CNC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N)O

Isomeric SMILES

CC(CN1CNC2=C1N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N)O

InChI

InChI=1S/C16H16Cl2N6O/c1-9(25)7-24-8-21-14-15(22-13(5-19)23-16(14)24)20-6-10-2-3-11(17)12(18)4-10/h2-4,9,21,25H,6-8H2,1H3,(H,20,22,23)