PRIMULINE(8064-60-6) IR1

Product NamePRIMULINE

CAS 8064-60-6

Molecular FormulaC21H14N3NaO3S3

Molecular Weight475.54

InChIInChI=1S/C21H15N3O3S3.Na/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12;/h2-10H,22H2,1H3,(H,25,26,27);/q;+1/p-1

InChIKey RSRNHSYYBLEMOI-UHFFFAOYSA-M

SmilesC12SC(C3C=CC4N=C(C5C=CC(N)=CC=5)SC=4C=3)=NC=1C=CC(C)=C2S([O-])(=O)=O.[Na+]

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