[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-azanyl-6-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-azanyl-6-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(1-allyl-4-amino-6-oxo-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-amino-6-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4-amino-6-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(1-allyl-4-amino-6-keto-pyrimidin-2-yl)thio]acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C19H29N3O3S MolecularWeight: 379.51686

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC(=CC(=O)N2CC=C)N)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NC(=CC(=O)N2CC=C)N)C(C)C

InChI

InChI=1S/C19H29N3O3S/c1-5-8-22-17(23)10-16(20)21-19(22)26-11-18(24)25-15-9-13(4)6-7-14(15)12(2)3/h5,10,12-15H,1,6-9,11,20H2,2-4H3/t13-,14+,15-/m0/s1