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

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[(6-chloranyl-1,3-benzothiazol-2-yl)methyl]piperazin-2-one Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1,3-benzothiazol-2-yl)methyl]piperazin-2-one CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-2-piperazinone IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1,3-benzothiazol-2-yl)methyl]piperazin-2-one Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[(6-chloro-1,3-benzothiazol-2-yl)methyl]piperazin-2-one Formula: C21H19ClN6OS MolecularWeight: 438.93316

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1CC2=NC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N

Isomeric SMILES

C1CN(C(=O)CN1CC2=NC3=C(S2)C=C(C=C3)Cl)CC4=CC5=C(C=C4)C(=NC=N5)N

InChI

InChI=1S/C21H19ClN6OS/c22-14-2-4-16-18(8-14)30-19(26-16)10-27-5-6-28(20(29)11-27)9-13-1-3-15-17(7-13)24-12-25-21(15)23/h1-4,7-8,12H,5-6,9-11H2,(H2,23,24,25)