2-(4-dimethylaminophenyl)-4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-dimethylaminophenyl)-4-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile Openeye Name: 2-(4-dimethylaminophenyl)-4-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]-6-methylsulfanyl-pyrimidine-5-carbonitrile CAS Name: 2-(4-dimethylaminophenyl)-4-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-6-(methylthio)-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-dimethylaminophenyl)-4-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]-6-methylsulfanylpyrimidine-5-carbonitrile Traditional Name: 4-(citraconimidoamino)-2-(4-dimethylaminophenyl)-6-(methylthio)pyrimidine-5-carbonitrile Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)NC2=C(C(=NC(=N2)C3=CC=C(C=C3)N(C)C)SC)C#N

Isomeric SMILES

CC1=CC(=O)N(C1=O)NC2=C(C(=NC(=N2)C3=CC=C(C=C3)N(C)C)SC)C#N

InChI

InChI=1S/C19H18N6O2S/c1-11-9-15(26)25(19(11)27)23-17-14(10-20)18(28-4)22-16(21-17)12-5-7-13(8-6-12)24(2)3/h5-9H,1-4H3,(H,21,22,23)