6,7-dimethoxy-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine Openeye Name: 6,7-dimethoxy-2-[4-(2-thienylsulfonyl)piperazin-1-yl]quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine Traditional Name: [6,7-dimethoxy-2-[4-(2-thienylsulfonyl)piperazino]quinazolin-4-yl]amine Formula: C18H21N5O4S2 MolecularWeight: 435.52044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)N)OC

InChI

InChI=1S/C18H21N5O4S2/c1-26-14-10-12-13(11-15(14)27-2)20-18(21-17(12)19)22-5-7-23(8-6-22)29(24,25)16-4-3-9-28-16/h3-4,9-11H,5-8H2,1-2H3,(H2,19,20,21)