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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1NC2=C(N1CCCO)N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

Isomeric SMILES

C1NC2=C(N1CCCO)N=C(N=C2NCC3=CC(=C(C=C3)Cl)Cl)C#N

InChI

InChI=1S/C16H16Cl2N6O/c17-11-3-2-10(6-12(11)18)8-20-15-14-16(23-13(7-19)22-15)24(9-21-14)4-1-5-25/h2-3,6,21,25H,1,4-5,8-9H2,(H,20,22,23)