2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine

Systemtic Name: 2-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine Openeye Name: 2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 2-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-6,7-dimethoxy-4-quinazolinamine IUPAC Name: 2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine Traditional Name: [2-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C18H20ClN5O4S2 MolecularWeight: 469.9655

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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=C(S4)Cl)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)S(=O)(=O)C4=CC=C(S4)Cl)N)OC

InChI

InChI=1S/C18H20ClN5O4S2/c1-27-13-9-11-12(10-14(13)28-2)21-18(22-17(11)20)23-5-7-24(8-6-23)30(25,26)16-4-3-15(19)29-16/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,22)