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

Systemtic Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(2,3-dimethoxypropyl)-7,8-dihydropurine-2-carbonitrile Openeye Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(2,3-dimethoxypropyl)-7,8-dihydropurine-2-carbonitrile CAS Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(2,3-dimethoxypropyl)-7,8-dihydropurine-2-carbonitrile IUPAC Name: 6-[(3,4-dichlorophenyl)methylamino]-9-(2,3-dimethoxypropyl)-7,8-dihydropurine-2-carbonitrile Traditional Name: 6-[(3,4-dichlorobenzyl)amino]-9-(2,3-dimethoxypropyl)-7,8-dihydropurine-2-carbonitrile Formula: C18H20Cl2N6O2 MolecularWeight: 423.2964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20Cl2N6O2/c1-27-9-12(28-2)8-26-10-23-16-17(24-15(6-21)25-18(16)26)22-7-11-3-4-13(19)14(20)5-11/h3-5,12,23H,7-10H2,1-2H3,(H,22,24,25)