[4-(1H-indazol-6-ylamino)-2-methylsulfanyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-(1H-indazol-6-ylamino)-2-methylsulfanyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-(1H-indazol-6-ylamino)-2-methylsulfanyl-pyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-(1H-indazol-6-ylamino)-2-(methylthio)-5-pyrimidinyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-(1H-indazol-6-ylamino)-2-methylsulfanylpyrimidin-5-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-(1H-indazol-6-ylamino)-2-(methylthio)pyrimidin-5-yl]-(4-methylpiperazino)methanone Formula: C18H21N7OS MolecularWeight: 383.47064

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CN=C(N=C2NC3=CC4=C(C=C3)C=NN4)SC

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CN=C(N=C2NC3=CC4=C(C=C3)C=NN4)SC

InChI

InChI=1S/C18H21N7OS/c1-24-5-7-25(8-6-24)17(26)14-11-19-18(27-2)22-16(14)21-13-4-3-12-10-20-23-15(12)9-13/h3-4,9-11H,5-8H2,1-2H3,(H,20,23)(H,19,21,22)