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

Systemtic Name: 4-methanethioyl-2-(4-methoxyphenyl)-6-[[3-methyl-2,5-bis(oxidanylidene)pyrrol-1-yl]amino]pyrimidine-5-carbonitrile Openeye Name: 4-methanethioyl-2-(4-methoxyphenyl)-6-[(3-methyl-2,5-dioxo-pyrrol-1-yl)amino]pyrimidine-5-carbonitrile CAS Name: 4-methanethioyl-2-(4-methoxyphenyl)-6-[(3-methyl-2,5-dioxo-1-pyrrolyl)amino]-5-pyrimidinecarbonitrile IUPAC Name: 4-methanethioyl-2-(4-methoxyphenyl)-6-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]pyrimidine-5-carbonitrile Traditional Name: 4-(citraconimidoamino)-2-(4-methoxyphenyl)-6-thioformyl-pyrimidine-5-carbonitrile Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C1=O)NC2=NC(=NC(=C2C#N)C=S)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=O)N(C1=O)NC2=NC(=NC(=C2C#N)C=S)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H13N5O3S/c1-10-7-15(24)23(18(10)25)22-17-13(8-19)14(9-27)20-16(21-17)11-3-5-12(26-2)6-4-11/h3-7,9H,1-2H3,(H,20,21,22)