1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-piperazine-2-carboxylic acid

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-6-oxidanylidene-piperazine-2-carboxylic acid Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-oxo-piperazine-2-carboxylic acid CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxo-2-piperazinecarboxylic acid IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-6-oxopiperazine-2-carboxylic acid Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-6-keto-piperazine-2-carboxylic acid Formula: C22H18ClN5O5S2 MolecularWeight: 531.99182

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N)C(=O)O

Isomeric SMILES

C1C(N(C(=O)CN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N)C(=O)O

InChI

InChI=1S/C22H18ClN5O5S2/c23-14-3-2-13-6-20(34-18(13)7-14)35(32,33)27-9-17(22(30)31)28(19(29)10-27)8-12-1-4-15-16(5-12)25-11-26-21(15)24/h1-7,11,17H,8-10H2,(H,30,31)(H2,24,25,26)