6-chloranyl-3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]quinazolin-4-one

Systemtic Name: 6-chloranyl-3-[[4-(phenylmethyl)sulfonylpiperazin-1-yl]methyl]quinazolin-4-one Openeye Name: 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-6-chloro-quinazolin-4-one CAS Name: 6-chloro-3-[[4-(phenylmethyl)sulfonyl-1-piperazinyl]methyl]-4-quinazolinone IUPAC Name: 3-[(4-benzylsulfonylpiperazin-1-yl)methyl]-6-chloroquinazolin-4-one Traditional Name: 3-[(4-benzylsulfonylpiperazino)methyl]-6-chloro-quinazolin-4-one Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C=NC3=C(C2=O)C=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CN2C=NC3=C(C2=O)C=C(C=C3)Cl)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4O3S/c21-17-6-7-19-18(12-17)20(26)24(14-22-19)15-23-8-10-25(11-9-23)29(27,28)13-16-4-2-1-3-5-16/h1-7,12,14H,8-11,13,15H2