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

Systemtic Name: ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[bis(2-chloroethyl)amino]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H23Cl2N3O3 MolecularWeight: 400.29952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23Cl2N3O3/c1-3-26-17(24)15-12(2)21-18(25)22-16(15)13-4-6-14(7-5-13)23(10-8-19)11-9-20/h4-7,16H,3,8-11H2,1-2H3,(H2,21,22,25)