[2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-chloranylbenzoate

Systemtic Name: [2-[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-amino]-2-oxidanylidene-ethyl] 4-chloranylbenzoate Openeye Name: [2-[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-amino]-2-oxo-ethyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2-[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2-[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-amino]-2-keto-ethyl] ester Formula: C19H23ClN4O5 MolecularWeight: 422.86272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)COC(=O)C2=CC=C(C=C2)Cl)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)COC(=O)C2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C19H23ClN4O5/c1-3-5-10-24-16(21)15(17(26)22-19(24)28)23(4-2)14(25)11-29-18(27)12-6-8-13(20)9-7-12/h6-9H,3-5,10-11,21H2,1-2H3,(H,22,26,28)