9-(3-oxidanylpropyl)-6-[(4-thiophen-2-ylphenyl)methylamino]purine-2-carbonitrile

Systemtic Name: 9-(3-oxidanylpropyl)-6-[(4-thiophen-2-ylphenyl)methylamino]purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[[4-(2-thienyl)phenyl]methylamino]purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[(4-thiophen-2-ylphenyl)methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[(4-thiophen-2-ylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[[4-(2-thienyl)benzyl]amino]purine-2-carbonitrile Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC=C(C=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

Isomeric SMILES

C1=CSC(=C1)C2=CC=C(C=C2)CNC3=NC(=NC4=C3N=CN4CCCO)C#N

InChI

InChI=1S/C20H18N6OS/c21-11-17-24-19(18-20(25-17)26(13-23-18)8-2-9-27)22-12-14-4-6-15(7-5-14)16-3-1-10-28-16/h1,3-7,10,13,27H,2,8-9,12H2,(H,22,24,25)