N-[6-[3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]propoxy]-3-methyl-2-sulfanyl-phenyl]methanesulfonamide

Systemtic Name: N-[6-[3-[4-[1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]piperazin-1-yl]propoxy]-3-methyl-2-sulfanyl-phenyl]methanesulfonamide Openeye Name: N-[6-[3-[4-(1,3-dimethyl-2,6-dioxo-pyrimidin-4-yl)piperazin-1-yl]propoxy]-3-methyl-2-sulfanyl-phenyl]methanesulfonamide CAS Name: N-[6-[3-[4-(1,3-dimethyl-2,6-dioxo-4-pyrimidinyl)-1-piperazinyl]propoxy]-2-mercapto-3-methylphenyl]methanesulfonamide IUPAC Name: N-[6-[3-[4-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)piperazin-1-yl]propoxy]-3-methyl-2-sulfanylphenyl]methanesulfonamide Traditional Name: N-[6-[3-[4-(2,6-diketo-1,3-dimethyl-pyrimidin-4-yl)piperazino]propoxy]-2-mercapto-3-methyl-phenyl]methanesulfonamide Formula: C21H31N5O5S2 MolecularWeight: 497.63134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)OCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)NS(=O)(=O)C)S

Isomeric SMILES

CC1=C(C(=C(C=C1)OCCCN2CCN(CC2)C3=CC(=O)N(C(=O)N3C)C)NS(=O)(=O)C)S

InChI

InChI=1S/C21H31N5O5S2/c1-15-6-7-16(19(20(15)32)22-33(4,29)30)31-13-5-8-25-9-11-26(12-10-25)17-14-18(27)24(3)21(28)23(17)2/h6-7,14,22,32H,5,8-13H2,1-4H3