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

Systemtic Name: 9-(3-oxidanylpropyl)-6-[(3-thiophen-3-ylphenyl)methylamino]purine-2-carbonitrile Openeye Name: 9-(3-hydroxypropyl)-6-[[3-(3-thienyl)phenyl]methylamino]purine-2-carbonitrile CAS Name: 9-(3-hydroxypropyl)-6-[[3-(3-thiophenyl)phenyl]methylamino]-2-purinecarbonitrile IUPAC Name: 9-(3-hydroxypropyl)-6-[(3-thiophen-3-ylphenyl)methylamino]purine-2-carbonitrile Traditional Name: 9-(3-hydroxypropyl)-6-[[3-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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