N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[4-(2-pyrimidinyl)-1-piperazinyl]propanamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-methyl-2-[4-(2-pyrimidyl)piperazino]propionamide Formula: C16H25N5O3S MolecularWeight: 367.4664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCS(=O)(=O)C1)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C(=O)N(C)C1CCS(=O)(=O)C1)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H25N5O3S/c1-13(15(22)19(2)14-4-11-25(23,24)12-14)20-7-9-21(10-8-20)16-17-5-3-6-18-16/h3,5-6,13-14H,4,7-12H2,1-2H3