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

Systemtic Name: methyl 4-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-ethyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-ethyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-ethylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylcarbamothioyl]amino]butanoate Traditional Name: 4-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-ethyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C16H27N5O4S MolecularWeight: 385.48168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)NCCCC(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=S)NCCCC(=O)OC)N

InChI

InChI=1S/C16H27N5O4S/c1-4-6-10-21-13(17)12(14(23)19-15(21)24)20(5-2)16(26)18-9-7-8-11(22)25-3/h4-10,17H2,1-3H3,(H,18,26)(H,19,23,24)