methyl 4-[[(2R)-2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylpropanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2R)-2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylpropanoyl]amino]benzoate Openeye Name: methyl 4-[[(2R)-2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanylpropanoyl]amino]benzoate CAS Name: 4-[[(2R)-2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylpropanoyl]amino]benzoate Traditional Name: 4-[[(2R)-2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]propanoyl]amino]benzoic acid methyl ester Formula: C18H20N4O4S MolecularWeight: 388.4408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C=C(N2CC=C)N

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)SC2=NC(=O)C=C(N2CC=C)N

InChI

InChI=1S/C18H20N4O4S/c1-4-9-22-14(19)10-15(23)21-18(22)27-11(2)16(24)20-13-7-5-12(6-8-13)17(25)26-3/h4-8,10-11H,1,9,19H2,2-3H3,(H,20,24)/t11-/m1/s1