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

Systemtic Name: 4-(1H-indazol-5-ylamino)-2-methylsulfanyl-N-(1-oxidanylbutan-2-yl)pyrimidine-5-carboxamide Openeye Name: N-[1-(hydroxymethyl)propyl]-4-(1H-indazol-5-ylamino)-2-methylsulfanyl-pyrimidine-5-carboxamide CAS Name: N-(1-hydroxybutan-2-yl)-4-(1H-indazol-5-ylamino)-2-(methylthio)-5-pyrimidinecarboxamide IUPAC Name: N-(1-hydroxybutan-2-yl)-4-(1H-indazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide Traditional Name: 4-(1H-indazol-5-ylamino)-N-(1-methylolpropyl)-2-(methylthio)pyrimidine-5-carboxamide Formula: C17H20N6O2S MolecularWeight: 372.4447

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)NN=C3)SC

Isomeric SMILES

CCC(CO)NC(=O)C1=CN=C(N=C1NC2=CC3=C(C=C2)NN=C3)SC

InChI

InChI=1S/C17H20N6O2S/c1-3-11(9-24)21-16(25)13-8-18-17(26-2)22-15(13)20-12-4-5-14-10(6-12)7-19-23-14/h4-8,11,24H,3,9H2,1-2H3,(H,19,23)(H,21,25)(H,18,20,22)