3-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 3-[3-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 3-[3-[4-[(5-chloro-2-thienyl)methyl]piperazin-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 3-[3-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazinyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 3-[3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-[4-[(5-chloro-2-thienyl)methyl]piperazino]-3-keto-propyl]quinazolin-4-one Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(S2)Cl)C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21ClN4O2S/c21-18-6-5-15(28-18)13-23-9-11-24(12-10-23)19(26)7-8-25-14-22-17-4-2-1-3-16(17)20(25)27/h1-6,14H,7-13H2