5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-N-(methylsulfonylmethyl)-4-propyl-piperazin-2-amine

Systemtic Name: 5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-N-(methylsulfonylmethyl)-4-propyl-piperazin-2-amine Openeye Name: 5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-N-(methylsulfonylmethyl)-4-propyl-piperazin-2-amine CAS Name: 5-(1H-indol-3-yl)-1-(5-methoxy-4-pyrimidinyl)-N-(methylsulfonylmethyl)-4-propyl-2-piperazinamine IUPAC Name: 5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-N-(methylsulfonylmethyl)-4-propylpiperazin-2-amine Traditional Name: [5-(1H-indol-3-yl)-1-(5-methoxypyrimidin-4-yl)-4-propyl-piperazin-2-yl]-(mesylmethyl)amine Formula: C22H30N6O3S MolecularWeight: 458.577

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(N(CC1C2=CNC3=CC=CC=C32)C4=NC=NC=C4OC)NCS(=O)(=O)C

Isomeric SMILES

CCCN1CC(N(CC1C2=CNC3=CC=CC=C32)C4=NC=NC=C4OC)NCS(=O)(=O)C

InChI

InChI=1S/C22H30N6O3S/c1-4-9-27-13-21(26-15-32(3,29)30)28(22-20(31-2)11-23-14-25-22)12-19(27)17-10-24-18-8-6-5-7-16(17)18/h5-8,10-11,14,19,21,24,26H,4,9,12-13,15H2,1-3H3