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

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1-benzothiophen-2-yl)sulfonyl]-3-methyl-piperazin-2-one Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-3-methyl-piperazin-2-one CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-methyl-2-piperazinone IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]-3-methylpiperazin-2-one Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-(6-chlorobenzothiophen-2-yl)sulfonyl-3-methyl-piperazin-2-one Formula: C22H20ClN5O3S2 MolecularWeight: 502.0089

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CCN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N

Isomeric SMILES

CC1C(=O)N(CCN1S(=O)(=O)C2=CC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N

InChI

InChI=1S/C22H20ClN5O3S2/c1-13-22(29)27(11-14-2-5-17-18(8-14)25-12-26-21(17)24)6-7-28(13)33(30,31)20-9-15-3-4-16(23)10-19(15)32-20/h2-5,8-10,12-13H,6-7,11H2,1H3,(H2,24,25,26)