4-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile

Systemtic Name: 4-[2-[(3-methoxyphenyl)amino]pyrimidin-4-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile Openeye Name: 4-[2-(3-methoxyanilino)pyrimidin-4-yl]-3-methyl-5-methylsulfanyl-thiophene-2-carbonitrile CAS Name: 4-[2-(3-methoxyanilino)-4-pyrimidinyl]-3-methyl-5-(methylthio)-2-thiophenecarbonitrile IUPAC Name: 4-[2-(3-methoxyanilino)pyrimidin-4-yl]-3-methyl-5-methylsulfanylthiophene-2-carbonitrile Traditional Name: 4-[2-(m-anisidino)pyrimidin-4-yl]-3-methyl-5-(methylthio)thiophene-2-carbonitrile Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)OC)SC)C#N

Isomeric SMILES

CC1=C(SC(=C1C2=NC(=NC=C2)NC3=CC(=CC=C3)OC)SC)C#N

InChI

InChI=1S/C18H16N4OS2/c1-11-15(10-19)25-17(24-3)16(11)14-7-8-20-18(22-14)21-12-5-4-6-13(9-12)23-2/h4-9H,1-3H3,(H,20,21,22)