6-[[3-(furan-3-yl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile

Systemtic Name: 6-[[3-(furan-3-yl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-(3-furyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-(3-furanyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(furan-3-yl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(3-furyl)benzyl]amino]-9-(3-hydroxypropyl)purine-2-carbonitrile Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O2/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)