4-[[[2-azanyl-4-(methylamino)quinazolin-6-yl]methylamino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[2-azanyl-4-(methylamino)quinazolin-6-yl]methylamino]methyl]benzenecarbonitrile Openeye Name: 4-[[[2-amino-4-(methylamino)quinazolin-6-yl]methylamino]methyl]benzonitrile CAS Name: 4-[[[2-amino-4-(methylamino)-6-quinazolinyl]methylamino]methyl]benzonitrile IUPAC Name: 4-[[[2-amino-4-(methylamino)quinazolin-6-yl]methylamino]methyl]benzonitrile Traditional Name: 4-[[[2-amino-4-(methylamino)quinazolin-6-yl]methylamino]methyl]benzonitrile Formula: C18H18N6 MolecularWeight: 318.37572

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1C=C(C=C2)CNCC3=CC=C(C=C3)C#N)N

Isomeric SMILES

CNC1=NC(=NC2=C1C=C(C=C2)CNCC3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C18H18N6/c1-21-17-15-8-14(6-7-16(15)23-18(20)24-17)11-22-10-13-4-2-12(9-19)3-5-13/h2-8,22H,10-11H2,1H3,(H3,20,21,23,24)