(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(4-azanyl-6-oxidanylidene-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(3-allyl-4-amino-6-oxo-1H-pyrimidin-3-ium-2-yl)sulfanyl]acetate CAS Name: 2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[(4-amino-6-oxo-3-prop-2-enyl-1H-pyrimidin-3-ium-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-allyl-4-amino-6-keto-1H-pyrimidin-3-ium-2-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C19H30N3O3S+ MolecularWeight: 380.5248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=[N+](C(=CC(=O)N2)N)CC=C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=[N+](C(=CC(=O)N2)N)CC=C)C(C)C

InChI

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