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

Systemtic Name: 6-[[3-(furan-2-yl)phenyl]methylamino]-9-(3-oxidanylpropyl)purine-2-carbonitrile Openeye Name: 6-[[3-(2-furyl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile CAS Name: 6-[[3-(2-furanyl)phenyl]methylamino]-9-(3-hydroxypropyl)-2-purinecarbonitrile IUPAC Name: 6-[[3-(furan-2-yl)phenyl]methylamino]-9-(3-hydroxypropyl)purine-2-carbonitrile Traditional Name: 6-[[3-(2-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=CC=CO4

Isomeric SMILES

C1=CC(=CC(=C1)CNC2=NC(=NC3=C2N=CN3CCCO)C#N)C4=CC=CO4

InChI

InChI=1S/C20H18N6O2/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)