1-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylethyl]benzotriazole

Systemtic Name: 1-[2-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]sulfonylethyl]benzotriazole Openeye Name: 1-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]sulfonylethyl]benzotriazole CAS Name: 1-[2-[[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]sulfonyl]ethyl]benzotriazole IUPAC Name: 1-[2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylethyl]benzotriazole Traditional Name: 1-[2-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]sulfonylethyl]benzotriazole Formula: C20H27N7O2S MolecularWeight: 429.53908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)CCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)S(=O)(=O)CCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H27N7O2S/c1-15(2)20-21-16(3)14-19(22-20)25-8-10-26(11-9-25)30(28,29)13-12-27-18-7-5-4-6-17(18)23-24-27/h4-7,14-15H,8-13H2,1-3H3