4-[[4-(3-cyanopropylamino)-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]amino]butanenitrile

Systemtic Name: 4-[[4-(3-cyanopropylamino)-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]amino]butanenitrile Openeye Name: 4-[[4-(3-cyanopropylamino)-6-(2-naphthylamino)-1,3,5-triazin-2-yl]amino]butanenitrile CAS Name: 4-[[4-(3-cyanopropylamino)-6-(2-naphthalenylamino)-1,3,5-triazin-2-yl]amino]butanenitrile IUPAC Name: 4-[[4-(3-cyanopropylamino)-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]amino]butanenitrile Traditional Name: 4-[[4-(3-cyanopropylamino)-6-(2-naphthylamino)-s-triazin-2-yl]amino]butyronitrile Formula: C21H22N8 MolecularWeight: 386.45298

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NC(=N3)NCCCC#N)NCCCC#N

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NC(=N3)NCCCC#N)NCCCC#N

InChI

InChI=1S/C21H22N8/c22-11-3-5-13-24-19-27-20(25-14-6-4-12-23)29-21(28-19)26-18-10-9-16-7-1-2-8-17(16)15-18/h1-2,7-10,15H,3-6,13-14H2,(H3,24,25,26,27,28,29)