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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CNC2=CC=CC=C21)N3CC(N(CC3N)C4=NC=NC=C4OC)S(=O)(=O)C

Isomeric SMILES

CCC(C1=CNC2=CC=CC=C21)N3CC(N(CC3N)C4=NC=NC=C4OC)S(=O)(=O)C

InChI

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