4-(1H-indazol-6-ylamino)-N-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxamide

Systemtic Name: 4-(1H-indazol-6-ylamino)-N-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxamide Openeye Name: 4-(1H-indazol-6-ylamino)-N-(4-methylpiperazin-1-yl)-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: 4-(1H-indazol-6-ylamino)-N-(4-methyl-1-piperazinyl)-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: 4-(1H-indazol-6-ylamino)-N-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-(1H-indazol-6-ylamino)-N-(4-methylpiperazino)-2-(methylthio)pyrimidine-5-carboxamide Formula: C18H22N8OS MolecularWeight: 398.48528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N8OS/c1-25-5-7-26(8-6-25)24-17(27)14-11-19-18(28-2)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,24,27)(H,19,21,22)