ethyl 4-[3-[bis(2-chloroethyl)amino]-5-methyl-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[3-[bis(2-chloroethyl)amino]-5-methyl-phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[3-[bis(2-chloroethyl)amino]-5-methyl-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[3-[bis(2-chloroethyl)amino]-5-methylphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[bis(2-chloroethyl)amino]-5-methylphenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-[bis(2-chloroethyl)amino]-5-methyl-phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H25Cl2N3O2S MolecularWeight: 430.3917

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2)N(CCCl)CCCl)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2)N(CCCl)CCCl)C)C

InChI

InChI=1S/C19H25Cl2N3O2S/c1-4-26-18(25)16-13(3)22-19(27)23-17(16)14-9-12(2)10-15(11-14)24(7-5-20)8-6-21/h9-11,17H,4-8H2,1-3H3,(H2,22,23,27)