2-azanyl-4-methylsulfanyl-6-oxidanylidene-1-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]pyrimidine-5-carbonitrile

Systemtic Name: 2-azanyl-4-methylsulfanyl-6-oxidanylidene-1-[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]pyrimidine-5-carbonitrile Openeye Name: 2-amino-4-methylsulfanyl-6-oxo-1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pyrimidine-5-carbonitrile CAS Name: 2-amino-4-(methylthio)-6-oxo-1-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]-5-pyrimidinecarbonitrile IUPAC Name: 2-amino-4-methylsulfanyl-6-oxo-1-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]pyrimidine-5-carbonitrile Traditional Name: 2-amino-6-keto-1-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]-4-(methylthio)pyrimidine-5-carbonitrile Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=O)N(C(=N1)N)NC=C2C=CC=CC2=O)C#N

Isomeric SMILES

CSC1=C(C(=O)N(C(=N1)N)N/C=C/2\C=CC=CC2=O)C#N

InChI

InChI=1S/C13H11N5O2S/c1-21-11-9(6-14)12(20)18(13(15)17-11)16-7-8-4-2-3-5-10(8)19/h2-5,7,16H,1H3,(H2,15,17)/b8-7+