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

Systemtic Name: 2-(1H-indol-3-yl)-4-(5-methoxypyrimidin-4-yl)-5-methylsulfonyl-1-propyl-piperazin-2-amine Openeye Name: 2-(1H-indol-3-yl)-4-(5-methoxypyrimidin-4-yl)-5-methylsulfonyl-1-propyl-piperazin-2-amine CAS Name: 2-(1H-indol-3-yl)-4-(5-methoxy-4-pyrimidinyl)-5-methylsulfonyl-1-propyl-2-piperazinamine IUPAC Name: 2-(1H-indol-3-yl)-4-(5-methoxypyrimidin-4-yl)-5-methylsulfonyl-1-propylpiperazin-2-amine Traditional Name: [2-(1H-indol-3-yl)-5-mesyl-4-(5-methoxypyrimidin-4-yl)-1-propyl-piperazin-2-yl]amine Formula: C21H28N6O3S MolecularWeight: 444.55042

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CC(N(CC1(C2=CNC3=CC=CC=C32)N)C4=NC=NC=C4OC)S(=O)(=O)C

Isomeric SMILES

CCCN1CC(N(CC1(C2=CNC3=CC=CC=C32)N)C4=NC=NC=C4OC)S(=O)(=O)C

InChI

InChI=1S/C21H28N6O3S/c1-4-9-26-12-19(31(3,28)29)27(20-18(30-2)11-23-14-25-20)13-21(26,22)16-10-24-17-8-6-5-7-15(16)17/h5-8,10-11,14,19,24H,4,9,12-13,22H2,1-3H3