N-(2-dimethylaminoethyl)-6-(1H-indazol-3-ylamino)-2-[4-(propanoylamino)phenyl]sulfanyl-pyrimidine-4-carboxamide

Systemtic Name: N-(2-dimethylaminoethyl)-6-(1H-indazol-3-ylamino)-2-[4-(propanoylamino)phenyl]sulfanyl-pyrimidine-4-carboxamide Openeye Name: N-(2-dimethylaminoethyl)-6-(1H-indazol-3-ylamino)-2-[4-(propanoylamino)phenyl]sulfanyl-pyrimidine-4-carboxamide CAS Name: N-(2-dimethylaminoethyl)-6-(1H-indazol-3-ylamino)-2-[[4-(1-oxopropylamino)phenyl]thio]-4-pyrimidinecarboxamide IUPAC Name: N-(2-dimethylaminoethyl)-6-(1H-indazol-3-ylamino)-2-[4-(propanoylamino)phenyl]sulfanylpyrimidine-4-carboxamide Traditional Name: N-(2-dimethylaminoethyl)-6-(1H-indazol-3-ylamino)-2-[(4-propionamidophenyl)thio]pyrimidine-4-carboxamide Formula: C25H28N8O2S MolecularWeight: 504.60722

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC4=CC=CC=C43)C(=O)NCCN(C)C

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC4=CC=CC=C43)C(=O)NCCN(C)C

InChI

InChI=1S/C25H28N8O2S/c1-4-22(34)27-16-9-11-17(12-10-16)36-25-28-20(24(35)26-13-14-33(2)3)15-21(30-25)29-23-18-7-5-6-8-19(18)31-32-23/h5-12,15H,4,13-14H2,1-3H3,(H,26,35)(H,27,34)(H2,28,29,30,31,32)