2-[[8-oxidanylidene-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzene-1,3-dicarbonitrile

Systemtic Name: 2-[[8-oxidanylidene-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzene-1,3-dicarbonitrile Openeye Name: 2-[[8-oxo-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzene-1,3-dicarbonitrile CAS Name: 2-[[8-oxo-2-[[(3S)-3-pyrrolidinyl]methylamino]-7H-purin-9-yl]methyl]benzene-1,3-dicarbonitrile IUPAC Name: 2-[[8-oxo-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]benzene-1,3-dicarbonitrile Traditional Name: 2-[[8-keto-2-[[(3S)-pyrrolidin-3-yl]methylamino]-7H-purin-9-yl]methyl]isophthalonitrile Formula: C19H18N8O MolecularWeight: 374.39922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC=C4C#N)C#N

Isomeric SMILES

C1CNC[C@H]1CNC2=NC=C3C(=N2)N(C(=O)N3)CC4=C(C=CC=C4C#N)C#N

InChI

InChI=1S/C19H18N8O/c20-6-13-2-1-3-14(7-21)15(13)11-27-17-16(25-19(27)28)10-24-18(26-17)23-9-12-4-5-22-8-12/h1-3,10,12,22H,4-5,8-9,11H2,(H,25,28)(H,23,24,26)/t12-/m0/s1