KHK-IN-1 (hydrochloride)(1303470-48-5)名称与标识符
名称
英文别名:
KHK-IN-1 (hydrochloride);ketohexokinase inhibitor;KHK-IN-1 hydrochloride;N8-Cyclopropylmethyl-N4-(2-methylsulfanyl-phenyl)-2-piperazin-1-yl-pyrimido[5,4-d]pyrimidine-4,8-diamine hydrochloride;KHK-IN-8 hydrochloride;8-N-(cyclopropylmethyl)-4-N-(2-methylsulfanylphenyl)-2-piperazin-1-ylpyrimido[5,4-d]pyrimidine-4,8-diamine;hydrochloride;
标识符
InChIKey:
VKIBPWKARAEIHN-UHFFFAOYSA-N
Inchi:
1S/C21H26N8S.ClH/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29;/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28);1H
SMILES:
Cl[H].S(C([H])([H])[H])C1=C([H])C([H])=C([H])C([H])=C1N([H])C1C2=C(C(=NC([H])=N2)N([H])C([H])([H])C2([H])C([H])([H])C2([H])[H])N=C(N=1)N1C([H])([H])C([H])([H])N([H])C([H])([H])C1([H])[H]