CHEBI:107376 - 2-(benzenesulfonyl)-3-[9-methyl-2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile

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ChEBI Name 2-(benzenesulfonyl)-3-[9-methyl-2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile
ChEBI ID CHEBI:107376
Stars This entity has been manually annotated by a third party.
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Formula C23H23N5O3S
Net Charge 0
Average Mass 449.527
Monoisotopic Mass 449.15216
InChI InChI=1S/C23H23N5O3S/c1-17-7-6-10-28-21(17)25-22(27-13-11-26(2)12-14-27)20(23(28)29)15-19(16-24)32(30,31)18-8-4-3-5-9-18/h3-10,15H,11-14H2,1-2H3
InChIKey VEBZEIIKHSMIHX-UHFFFAOYSA-N
SMILES CC1=CC=CN2C1=NC(=C(C2=O)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 2-(benzenesulfonyl)-3-[9-methyl-2-(4-methyl-1-piperazinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]-2-propenenitrile (CHEBI:107376) is a N-arylpiperazine (CHEBI:46848)
Manual Xref Database
LSM-18730 LINCS
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