N-(5-tert-butyl-2-methylsulfinyl-phenyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxy-indole-2-carboxamide

Systemtic Name: N-(5-tert-butyl-2-methylsulfinyl-phenyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxy-indole-2-carboxamide Openeye Name: N-(5-tert-butyl-2-methylsulfinyl-phenyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxy-indole-2-carboxamide CAS Name: N-(5-tert-butyl-2-methylsulfinylphenyl)-1-methyl-7-[[2-(4-methyl-1-piperazinyl)-4-pyrimidinyl]oxy]-2-indolecarboxamide IUPAC Name: N-(5-tert-butyl-2-methylsulfinylphenyl)-1-methyl-7-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]oxyindole-2-carboxamide Traditional Name: N-(5-tert-butyl-2-methylsulfinyl-phenyl)-1-methyl-7-[2-(4-methylpiperazino)pyrimidin-4-yl]oxy-indole-2-carboxamide Formula: C30H36N6O3S MolecularWeight: 560.71024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)S(=O)C)NC(=O)C2=CC3=C(N2C)C(=CC=C3)OC4=NC(=NC=C4)N5CCN(CC5)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)S(=O)C)NC(=O)C2=CC3=C(N2C)C(=CC=C3)OC4=NC(=NC=C4)N5CCN(CC5)C

InChI

InChI=1S/C30H36N6O3S/c1-30(2,3)21-10-11-25(40(6)38)22(19-21)32-28(37)23-18-20-8-7-9-24(27(20)35(23)5)39-26-12-13-31-29(33-26)36-16-14-34(4)15-17-36/h7-13,18-19H,14-17H2,1-6H3,(H,32,37)