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

Systemtic Name: methyl 2-[2-[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-[(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-[[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-[[(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NC(=O)C=C(N1)CC(=O)OC

Isomeric SMILES

C[C@H](C(=O)NCC(C)C)SC1=NC(=O)C=C(N1)CC(=O)OC

InChI

InChI=1S/C14H21N3O4S/c1-8(2)7-15-13(20)9(3)22-14-16-10(5-11(18)17-14)6-12(19)21-4/h5,8-9H,6-7H2,1-4H3,(H,15,20)(H,16,17,18)/t9-/m1/s1