2-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 2-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 2-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 2-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 2-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 2-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]benzonitrile Formula: C18H12ClN5O2 MolecularWeight: 365.77318

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)Cl)NC3=NC(=NC=C3)NC4=CC=CC=C4C#N

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)Cl)NC3=NC(=NC=C3)NC4=CC=CC=C4C#N

InChI

InChI=1S/C18H12ClN5O2/c19-12-5-6-14-17(26-10-25-14)16(12)23-15-7-8-21-18(24-15)22-13-4-2-1-3-11(13)9-20/h1-8H,10H2,(H2,21,22,23,24)