1-(5-chloranylthiophen-2-yl)-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-[4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazino]butane-1,4-dione Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H25ClN4O2S/c1-13(2)20-22-14(3)12-18(23-20)24-8-10-25(11-9-24)19(27)7-4-15(26)16-5-6-17(21)28-16/h5-6,12-13H,4,7-11H2,1-3H3