N2-[3-(1-benzothiophen-3-ylmethylamino)cyclohexyl]-N4,N4-dimethyl-quinazoline-2,4-diamine

Systemtic Name: N2-[3-(1-benzothiophen-3-ylmethylamino)cyclohexyl]-N4,N4-dimethyl-quinazoline-2,4-diamine Openeye Name: N2-[3-(benzothiophen-3-ylmethylamino)cyclohexyl]-N4,N4-dimethyl-quinazoline-2,4-diamine CAS Name: N2-[3-(1-benzothiophen-3-ylmethylamino)cyclohexyl]-N4,N4-dimethylquinazoline-2,4-diamine IUPAC Name: 2-N-[3-(1-benzothiophen-3-ylmethylamino)cyclohexyl]-4-N,4-N-dimethylquinazoline-2,4-diamine Traditional Name: [2-[[3-(benzothiophen-3-ylmethylamino)cyclohexyl]amino]quinazolin-4-yl]-dimethyl-amine Formula: C25H29N5S MolecularWeight: 431.59626

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCCC(C3)NCC4=CSC5=CC=CC=C54

Isomeric SMILES

CN(C)C1=NC(=NC2=CC=CC=C21)NC3CCCC(C3)NCC4=CSC5=CC=CC=C54

InChI

InChI=1S/C25H29N5S/c1-30(2)24-21-11-3-5-12-22(21)28-25(29-24)27-19-9-7-8-18(14-19)26-15-17-16-31-23-13-6-4-10-20(17)23/h3-6,10-13,16,18-19,26H,7-9,14-15H2,1-2H3,(H,27,28,29)