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

Systemtic Name: methyl 4-[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C18H23Cl2N3O4 MolecularWeight: 416.29892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)N(CCCl)CCCl)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=O)N1)C2=CC(=C(C=C2)N(CCCl)CCCl)OC)C(=O)OC

InChI

InChI=1S/C18H23Cl2N3O4/c1-11-15(17(24)27-3)16(22-18(25)21-11)12-4-5-13(14(10-12)26-2)23(8-6-19)9-7-20/h4-5,10,16H,6-9H2,1-3H3,(H2,21,22,25)