2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(6-azanyl-4-oxidanylidene-1-prop-2-enyl-pyrimidin-2-yl)sulfanyl-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(1-allyl-6-amino-4-oxo-pyrimidin-2-yl)sulfanyl-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-[(6-amino-4-oxo-1-prop-2-enyl-2-pyrimidinyl)thio]-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: 2-(6-amino-4-oxo-1-prop-2-enylpyrimidin-2-yl)sulfanyl-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[(1-allyl-6-amino-4-keto-pyrimidin-2-yl)thio]-N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C18H18N6O2S3 MolecularWeight: 446.56952

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)N

Isomeric SMILES

C=CCN1C(=CC(=O)N=C1SCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)N

InChI

InChI=1S/C18H18N6O2S3/c1-2-8-24-13(19)9-14(25)21-17(24)27-11-15(26)20-16-22-23-18(29-16)28-10-12-6-4-3-5-7-12/h2-7,9H,1,8,10-11,19H2,(H,20,22,26)