2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]quinazolin-4-one CAS Name: 2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-2-[(5-piperidinosulfonyl-2-pyridyl)thio]quinazolin-4-one Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SC3=NC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C21H22N4O3S2/c1-2-12-25-20(26)17-8-4-5-9-18(17)23-21(25)29-19-11-10-16(15-22-19)30(27,28)24-13-6-3-7-14-24/h2,4-5,8-11,15H,1,3,6-7,12-14H2