S-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl] 4-[bis(2-chloroethyl)amino]benzenecarbothioate

Systemtic Name: S-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl] 4-[bis(2-chloroethyl)amino]benzenecarbothioate Openeye Name: S-(2,4-dioxo-1H-pyrimidin-5-yl) 4-[bis(2-chloroethyl)amino]benzenecarbothioate CAS Name: 4-[bis(2-chloroethyl)amino]benzenecarbothioic acid S-(2,4-dioxo-1H-pyrimidin-5-yl) ester IUPAC Name: S-(2,4-dioxo-1H-pyrimidin-5-yl) 4-[bis(2-chloroethyl)amino]benzenecarbothioate Traditional Name: 4-[bis(2-chloroethyl)amino]thiobenzoic acid S-(2,4-diketo-1H-pyrimidin-5-yl) ester Formula: C15H15Cl2N3O3S MolecularWeight: 388.2689

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SC2=CNC(=O)NC2=O)N(CCCl)CCCl

Isomeric SMILES

C1=CC(=CC=C1C(=O)SC2=CNC(=O)NC2=O)N(CCCl)CCCl

InChI

InChI=1S/C15H15Cl2N3O3S/c16-5-7-20(8-6-17)11-3-1-10(2-4-11)14(22)24-12-9-18-15(23)19-13(12)21/h1-4,9H,5-8H2,(H2,18,19,21,23)