1-[(4-azanylquinazolin-7-yl)methyl]-4-[2-(3-chlorophenyl)sulfanylethanoyl]piperazin-2-one

Systemtic Name: 1-[(4-azanylquinazolin-7-yl)methyl]-4-[2-(3-chlorophenyl)sulfanylethanoyl]piperazin-2-one Openeye Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(3-chlorophenyl)sulfanylacetyl]piperazin-2-one CAS Name: 1-[(4-amino-7-quinazolinyl)methyl]-4-[2-[(3-chlorophenyl)thio]-1-oxoethyl]-2-piperazinone IUPAC Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-(3-chlorophenyl)sulfanylacetyl]piperazin-2-one Traditional Name: 1-[(4-aminoquinazolin-7-yl)methyl]-4-[2-[(3-chlorophenyl)thio]acetyl]piperazin-2-one Formula: C21H20ClN5O2S MolecularWeight: 441.9338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)CN1C(=O)CSC2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

Isomeric SMILES

C1CN(C(=O)CN1C(=O)CSC2=CC(=CC=C2)Cl)CC3=CC4=C(C=C3)C(=NC=N4)N

InChI

InChI=1S/C21H20ClN5O2S/c22-15-2-1-3-16(9-15)30-12-20(29)27-7-6-26(19(28)11-27)10-14-4-5-17-18(8-14)24-13-25-21(17)23/h1-5,8-9,13H,6-7,10-12H2,(H2,23,24,25)