methyl 2-[2-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC(=O)C=C(N4)CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC(=O)C=C(N4)CC(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-11(28-19-21-15(6-16(24)22-19)7-17(25)27-2)18(26)23-20-8-12-3-13(9-20)5-14(4-12)10-20/h6,11-14H,3-5,7-10H2,1-2H3,(H,23,26)(H,21,22,24)/t11-,12?,13?,14?,20?/m1/s1