3-cyclopentyl-2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 3-cyclopentyl-2-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]sulfanyl-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 3-cyclopentyl-2-[2-(isopentylamino)-2-oxo-ethyl]sulfanyl-6-oxo-pyrimidin-4-olate CAS Name: 3-cyclopentyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]thio]-6-oxo-4-pyrimidinolate IUPAC Name: 3-cyclopentyl-2-[2-(3-methylbutylamino)-2-oxoethyl]sulfanyl-6-oxopyrimidin-4-olate Traditional Name: 3-cyclopentyl-2-[[2-(isoamylamino)-2-keto-ethyl]thio]-6-keto-pyrimidin-4-olate Formula: C16H24N3O3S- MolecularWeight: 338.44506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CSC1=NC(=O)C=C(N1C2CCCC2)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CSC1=NC(=O)C=C(N1C2CCCC2)[O-]

InChI

InChI=1S/C16H25N3O3S/c1-11(2)7-8-17-14(21)10-23-16-18-13(20)9-15(22)19(16)12-5-3-4-6-12/h9,11-12,22H,3-8,10H2,1-2H3,(H,17,21)/p-1