2-azanyl-2-[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]-2-phenyl-ethanenitrile

Systemtic Name: 2-azanyl-2-[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]-2-phenyl-ethanenitrile Openeye Name: 2-amino-2-[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]-2-phenyl-acetonitrile CAS Name: 2-amino-2-[4-(cycloheptylamino)-6-[1-(2-pyrrolidinyl)propylamino]-1,3,5-triazin-2-yl]-2-phenylacetonitrile IUPAC Name: 2-amino-2-[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-1,3,5-triazin-2-yl]-2-phenylacetonitrile Traditional Name: 2-amino-2-[4-(cycloheptylamino)-6-(1-pyrrolidin-2-ylpropylamino)-s-triazin-2-yl]-2-phenyl-acetonitrile Formula: C25H36N8 MolecularWeight: 448.60694

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)C(C#N)(C4=CC=CC=C4)N

Isomeric SMILES

CCC(C1CCCN1)NC2=NC(=NC(=N2)NC3CCCCCC3)C(C#N)(C4=CC=CC=C4)N

InChI

InChI=1S/C25H36N8/c1-2-20(21-15-10-16-28-21)30-24-32-22(25(27,17-26)18-11-6-5-7-12-18)31-23(33-24)29-19-13-8-3-4-9-14-19/h5-7,11-12,19-21,28H,2-4,8-10,13-16,27H2,1H3,(H2,29,30,31,32,33)