N4-cycloheptyl-6,7-dimethoxy-N2-(thiophen-2-ylmethyl)quinazoline-2,4-diamine

Systemtic Name: N4-cycloheptyl-6,7-dimethoxy-N2-(thiophen-2-ylmethyl)quinazoline-2,4-diamine Openeye Name: N4-cycloheptyl-6,7-dimethoxy-N2-(2-thienylmethyl)quinazoline-2,4-diamine CAS Name: N4-cycloheptyl-6,7-dimethoxy-N2-(thiophen-2-ylmethyl)quinazoline-2,4-diamine IUPAC Name: 4-N-cycloheptyl-6,7-dimethoxy-2-N-(thiophen-2-ylmethyl)quinazoline-2,4-diamine Traditional Name: cycloheptyl-[6,7-dimethoxy-2-(2-thenylamino)quinazolin-4-yl]amine Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)NCC3=CC=CS3)NC4CCCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)NCC3=CC=CS3)NC4CCCCCC4)OC

InChI

InChI=1S/C22H28N4O2S/c1-27-19-12-17-18(13-20(19)28-2)25-22(23-14-16-10-7-11-29-16)26-21(17)24-15-8-5-3-4-6-9-15/h7,10-13,15H,3-6,8-9,14H2,1-2H3,(H2,23,24,25,26)