[4-[4-[(3,4-dimethoxyphenyl)amino]quinazolin-2-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-[(3,4-dimethoxyphenyl)amino]quinazolin-2-yl]-1,4-diazepan-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[4-(3,4-dimethoxyanilino)quinazolin-2-yl]-1,4-diazepan-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-(3,4-dimethoxyanilino)-2-quinazolinyl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone IUPAC Name: [4-[4-(3,4-dimethoxyanilino)quinazolin-2-yl]-1,4-diazepan-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[4-(3,4-dimethoxyanilino)quinazolin-2-yl]-1,4-diazepan-1-yl]-(2-thienyl)methanone Formula: C26H27N5O3S MolecularWeight: 489.58928

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCN(CC4)C(=O)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)N4CCCN(CC4)C(=O)C5=CC=CS5)OC

InChI

InChI=1S/C26H27N5O3S/c1-33-21-11-10-18(17-22(21)34-2)27-24-19-7-3-4-8-20(19)28-26(29-24)31-13-6-12-30(14-15-31)25(32)23-9-5-16-35-23/h3-5,7-11,16-17H,6,12-15H2,1-2H3,(H,27,28,29)