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

Systemtic Name: methyl 4-[[[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-cyclopentyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-cyclopentyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-cyclopentylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-cyclopentylcarbamothioyl]amino]butanoate Traditional Name: 4-[[(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-cyclopentyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C19H31N5O4S MolecularWeight: 425.54554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NCCCC(=O)OC)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=S)NCCCC(=O)OC)N

InChI

InChI=1S/C19H31N5O4S/c1-3-4-12-23-16(20)15(17(26)22-18(23)27)24(13-8-5-6-9-13)19(29)21-11-7-10-14(25)28-2/h13H,3-12,20H2,1-2H3,(H,21,29)(H,22,26,27)