2-[[14-[(8-azanylquinolin-2-yl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]quinolin-8-amine

Systemtic Name: 2-[[14-[(8-azanylquinolin-2-yl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]quinolin-8-amine Openeye Name: 2-[[14-[(8-amino-2-quinolyl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]quinolin-8-amine CAS Name: 2-[[14-[(8-amino-2-quinolinyl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]-8-quinolinamine IUPAC Name: 2-[[14-[(8-aminoquinolin-2-yl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]quinolin-8-amine Traditional Name: [2-[[14-[(8-amino-2-quinolyl)methyl]-7,11-dimethyl-1-thia-4,7,11,14-tetrazacyclohexadec-4-yl]methyl]-8-quinolyl]amine Formula: C33H46N8S MolecularWeight: 586.83694

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CCN(CCSCCN(CC1)CC2=NC3=C(C=CC=C3N)C=C2)CC4=NC5=C(C=CC=C5N)C=C4)C

Isomeric SMILES

CN1CCCN(CCN(CCSCCN(CC1)CC2=NC3=C(C=CC=C3N)C=C2)CC4=NC5=C(C=CC=C5N)C=C4)C

InChI

InChI=1S/C33H46N8S/c1-38-14-5-15-39(2)17-19-41(25-29-13-11-27-7-4-9-31(35)33(27)37-29)21-23-42-22-20-40(18-16-38)24-28-12-10-26-6-3-8-30(34)32(26)36-28/h3-4,6-13H,5,14-25,34-35H2,1-2H3