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

Systemtic Name: ethyl 4-[[(2R)-2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylbutanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2R)-2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanylbutanoyl]amino]benzoate CAS Name: 4-[[(2R)-2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[(2R)-2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]butanoyl]amino]benzoic acid ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S/c1-4-11-24-16(21)12-17(25)23-20(24)29-15(5-2)18(26)22-14-9-7-13(8-10-14)19(27)28-6-3/h4,7-10,12,15H,1,5-6,11,21H2,2-3H3,(H,22,26)/t15-/m1/s1