897453-89-3 ((N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanylacetamide)

CAS号:
897453-89-3
英文名称:
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanylacetamide
分子式:
C18H18N6O3S2
分子量:
430.503920078278

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanylacetamide(897453-89-3)名称与标识符

名称

英文别名:
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanylacetamide;Acetamide, N-(6-methyl-2-benzothiazolyl)-2-[(2,3,6,9-tetrahydro-1,3,9-trimethyl-2,6-dioxo-1H-purin-8-yl)thio]-;

标识符

InChIKey:
PLXLCZYAYIVHAM-UHFFFAOYSA-N
Inchi:
1S/C18H18N6O3S2/c1-9-5-6-10-11(7-9)29-16(19-10)20-12(25)8-28-17-21-13-14(22(17)2)23(3)18(27)24(4)15(13)26/h5-7H,8H2,1-4H3,(H,19,20,25)
SMILES:
C(NC1=NC2=CC=C(C)C=C2S1)(=O)CSC1N(C)C2=C(N=1)C(=O)N(C)C(=O)N2C

N-(6-methyl-1,3-benzothiazol-2-yl)-2-(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanylacetamide(897453-89-3)物化性质

实验特性

  • 酸度系数(pKa) : 8.89±0.70(Predicted)
  • 密度 : 1.58±0.1 g/cm3(Predicted)