2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-(3-methyl-5-propan-2-yl-cyclohexyl)-1,3-oxathiolane-2-carboxylate

Systemtic Name: 2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-4-(3-methyl-5-propan-2-yl-cyclohexyl)-1,3-oxathiolane-2-carboxylate Openeye Name: 2-(4-amino-2-oxo-pyrimidin-1-yl)-4-(3-isopropyl-5-methyl-cyclohexyl)-1,3-oxathiolane-2-carboxylate CAS Name: 2-(4-amino-2-oxo-1-pyrimidinyl)-4-(3-methyl-5-propan-2-ylcyclohexyl)-1,3-oxathiolane-2-carboxylate IUPAC Name: 2-(4-amino-2-oxopyrimidin-1-yl)-4-(3-methyl-5-propan-2-ylcyclohexyl)-1,3-oxathiolane-2-carboxylate Traditional Name: 2-(4-amino-2-keto-pyrimidin-1-yl)-4-(3-isopropyl-5-methyl-cyclohexyl)-1,3-oxathiolane-2-carboxylate Formula: C18H26N3O4S- MolecularWeight: 380.48174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)C(C)C)C2COC(S2)(C(=O)[O-])N3C=CC(=NC3=O)N

Isomeric SMILES

CC1CC(CC(C1)C(C)C)C2COC(S2)(C(=O)[O-])N3C=CC(=NC3=O)N

InChI

InChI=1S/C18H27N3O4S/c1-10(2)12-6-11(3)7-13(8-12)14-9-25-18(26-14,16(22)23)21-5-4-15(19)20-17(21)24/h4-5,10-14H,6-9H2,1-3H3,(H,22,23)(H2,19,20,24)/p-1