4-[5-[bis(2-chloroethyl)amino]-2,4-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid

Systemtic Name: 4-[5-[bis(2-chloroethyl)amino]-2,4-bis(oxidanylidene)pyrimidin-1-yl]butanoic acid Openeye Name: 4-[5-[bis(2-chloroethyl)amino]-2,4-dioxo-pyrimidin-1-yl]butanoic acid CAS Name: 4-[5-[bis(2-chloroethyl)amino]-2,4-dioxo-1-pyrimidinyl]butanoic acid IUPAC Name: 4-[5-[bis(2-chloroethyl)amino]-2,4-dioxopyrimidin-1-yl]butanoic acid Traditional Name: 4-[5-[bis(2-chloroethyl)amino]-2,4-diketo-pyrimidin-1-yl]butyric acid Formula: C12H17Cl2N3O4 MolecularWeight: 338.18708

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=O)N1CCCC(=O)O)N(CCCl)CCCl

Isomeric SMILES

C1=C(C(=O)NC(=O)N1CCCC(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C12H17Cl2N3O4/c13-3-6-16(7-4-14)9-8-17(5-1-2-10(18)19)12(21)15-11(9)20/h8H,1-7H2,(H,18,19)(H,15,20,21)