3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methyl-piperazin-1-yl]propyl]-5-(methylsulfonylmethyl)-1H-indole

Systemtic Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methyl-piperazin-1-yl]propyl]-5-(methylsulfonylmethyl)-1H-indole Openeye Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methyl-piperazin-1-yl]propyl]-5-(methylsulfonylmethyl)-1H-indole CAS Name: 3-[3-[4-(5-methoxy-4-pyrimidinyl)-3-methyl-1-piperazinyl]propyl]-5-(methylsulfonylmethyl)-1H-indole IUPAC Name: 3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methylpiperazin-1-yl]propyl]-5-(methylsulfonylmethyl)-1H-indole Traditional Name: 5-(mesylmethyl)-3-[3-[4-(5-methoxypyrimidin-4-yl)-3-methyl-piperazino]propyl]-1H-indole Formula: C23H31N5O3S MolecularWeight: 457.58894

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC=NC=C2OC)CCCC3=CNC4=C3C=C(C=C4)CS(=O)(=O)C

Isomeric SMILES

CC1CN(CCN1C2=NC=NC=C2OC)CCCC3=CNC4=C3C=C(C=C4)CS(=O)(=O)C

InChI

InChI=1S/C23H31N5O3S/c1-17-14-27(9-10-28(17)23-22(31-2)13-24-16-26-23)8-4-5-19-12-25-21-7-6-18(11-20(19)21)15-32(3,29)30/h6-7,11-13,16-17,25H,4-5,8-10,14-15H2,1-3H3