CHEBI:114513 - N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine

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ChEBI Name N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine
ChEBI ID CHEBI:114513
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H15N7S
Net Charge 0
Average Mass 325.393
Monoisotopic Mass 325.11096
InChI InChI=1S/C15H15N7S/c1-10-3-5-11(6-4-10)19-14-21-12(20-13(16)22-14)9-23-15-17-7-2-8-18-15/h2-8H,9H2,1H3,(H3,16,19,20,21,22)
InChIKey SZOPRAYQMXOLOM-UHFFFAOYSA-N
SMILES CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC=N3
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 N2-(4-methylphenyl)-6-[(2-pyrimidinylthio)methyl]-1,3,5-triazine-2,4-diamine (CHEBI:114513) is a diamino-1,3,5-triazine (CHEBI:38170)
Manual Xref Database
LSM-25974 LINCS
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