[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidin-5-yl)methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidin-5-yl)methanone Openeye Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-[4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidin-5-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)-1-piperazinyl]-[4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)piperazin-1-yl]-(4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidin-5-yl)methanone Traditional Name: [4-(azepan-1-ylsulfonyl)piperazino]-[4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidin-5-yl]methanone Formula: C21H29N5O3S3 MolecularWeight: 495.68166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)N3CCN(CC3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C21H29N5O3S3/c1-16-18(20(30-2)23-19(22-16)17-8-7-15-31-17)21(27)24-11-13-26(14-12-24)32(28,29)25-9-5-3-4-6-10-25/h7-8,15H,3-6,9-14H2,1-2H3