2-(2-azanylhexylamino)-4-[[3,5-bis(chloranyl)phenyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 2-(2-azanylhexylamino)-4-[[3,5-bis(chloranyl)phenyl]amino]pyrimidine-5-carbonitrile Openeye Name: 2-(2-aminohexylamino)-4-(3,5-dichloroanilino)pyrimidine-5-carbonitrile CAS Name: 2-(2-aminohexylamino)-4-(3,5-dichloroanilino)-5-pyrimidinecarbonitrile IUPAC Name: 2-(2-aminohexylamino)-4-(3,5-dichloroanilino)pyrimidine-5-carbonitrile Traditional Name: 2-(2-aminohexylamino)-4-(3,5-dichloroanilino)pyrimidine-5-carbonitrile Formula: C17H20Cl2N6 MolecularWeight: 379.2869

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=NC=C(C(=N1)NC2=CC(=CC(=C2)Cl)Cl)C#N)N

Isomeric SMILES

CCCCC(CNC1=NC=C(C(=N1)NC2=CC(=CC(=C2)Cl)Cl)C#N)N

InChI

InChI=1S/C17H20Cl2N6/c1-2-3-4-14(21)10-23-17-22-9-11(8-20)16(25-17)24-15-6-12(18)5-13(19)7-15/h5-7,9,14H,2-4,10,21H2,1H3,(H2,22,23,24,25)