2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]benzonitrile CAS Name: 2-[[[4-(4-azepanyl)-2-pyrimidinyl]amino]-(1-azetidinyl)methyl]benzonitrile IUPAC Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]benzonitrile Traditional Name: 2-[[[4-(azepan-4-yl)pyrimidin-2-yl]amino]-(azetidin-1-yl)methyl]benzonitrile Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C2=NC(=NC=C2)NC(C3=CC=CC=C3C#N)N4CCC4

Isomeric SMILES

C1CC(CCNC1)C2=NC(=NC=C2)NC(C3=CC=CC=C3C#N)N4CCC4

InChI

InChI=1S/C21H26N6/c22-15-17-5-1-2-7-18(17)20(27-13-4-14-27)26-21-24-12-9-19(25-21)16-6-3-10-23-11-8-16/h1-2,5,7,9,12,16,20,23H,3-4,6,8,10-11,13-14H2,(H,24,25,26)