1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3,5-dimethyl-piperazin-2-one

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3,5-dimethyl-piperazin-2-one Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-3,5-dimethyl-piperazin-2-one CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3,5-dimethyl-2-piperazinone IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3,5-dimethylpiperazin-2-one Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-3,5-dimethyl-piperazin-2-one Formula: C23H22ClN5O3S2 MolecularWeight: 516.03548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(=O)C(N1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)C)CC4=CC5=C(C=C4)C(=NC=N5)N

Isomeric SMILES

CC1CN(C(=O)C(N1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)C)CC4=CC5=C(C=C4)C(=NC=N5)N

InChI

InChI=1S/C23H22ClN5O3S2/c1-13-10-28(11-15-3-6-18-19(7-15)26-12-27-22(18)25)23(30)14(2)29(13)34(31,32)21-8-16-4-5-17(24)9-20(16)33-21/h3-9,12-14H,10-11H2,1-2H3,(H2,25,26,27)