methyl 2-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylbutanoylamino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: methyl 2-[2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanylbutanoylamino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: methyl 2-[2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanylbutanoylamino]-3-benzylsulfanyl-propanoate CAS Name: 2-[[2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 2-[2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanylbutanoylamino]-3-benzylsulfanylpropanoate Traditional Name: 2-[2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]butanoylamino]-3-(benzylthio)propionic acid methyl ester Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2CC=C)N

Isomeric SMILES

CCC(C(=O)NC(CSCC1=CC=CC=C1)C(=O)OC)SC2=NC(=O)C=C(N2CC=C)N

InChI

InChI=1S/C22H28N4O4S2/c1-4-11-26-18(23)12-19(27)25-22(26)32-17(5-2)20(28)24-16(21(29)30-3)14-31-13-15-9-7-6-8-10-15/h4,6-10,12,16-17H,1,5,11,13-14,23H2,2-3H3,(H,24,28)