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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)C4=CC=CS4

InChI

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