6-chloranyl-N4,N4-dimethyl-N2-[3-(thiophen-3-ylmethylamino)cyclohexyl]quinoline-2,4-diamine

Systemtic Name: 6-chloranyl-N4,N4-dimethyl-N2-[3-(thiophen-3-ylmethylamino)cyclohexyl]quinoline-2,4-diamine Openeye Name: 6-chloro-N4,N4-dimethyl-N2-[3-(3-thienylmethylamino)cyclohexyl]quinoline-2,4-diamine CAS Name: 6-chloro-N4,N4-dimethyl-N2-[3-(3-thiophenylmethylamino)cyclohexyl]quinoline-2,4-diamine IUPAC Name: 6-chloro-4-N,4-N-dimethyl-2-N-[3-(thiophen-3-ylmethylamino)cyclohexyl]quinoline-2,4-diamine Traditional Name: [6-chloro-2-[[3-(3-thenylamino)cyclohexyl]amino]-4-quinolyl]-dimethyl-amine Formula: C22H27ClN4S MolecularWeight: 414.99458

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC2=C1C=C(C=C2)Cl)NC3CCCC(C3)NCC4=CSC=C4

Isomeric SMILES

CN(C)C1=CC(=NC2=C1C=C(C=C2)Cl)NC3CCCC(C3)NCC4=CSC=C4

InChI

InChI=1S/C22H27ClN4S/c1-27(2)21-12-22(26-20-7-6-16(23)10-19(20)21)25-18-5-3-4-17(11-18)24-13-15-8-9-28-14-15/h6-10,12,14,17-18,24H,3-5,11,13H2,1-2H3,(H,25,26)