4-[2-[(3-iodanyl-4-methyl-phenyl)amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile

Systemtic Name: 4-[2-[(3-iodanyl-4-methyl-phenyl)amino]pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile Openeye Name: 4-[2-(3-iodo-4-methyl-anilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile CAS Name: 4-[2-(3-iodo-4-methylanilino)-4-pyrimidinyl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile IUPAC Name: 4-[2-(3-iodo-4-methylanilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile Traditional Name: 4-[2-(3-iodo-4-methyl-anilino)pyrimidin-4-yl]-3,5-dimethyl-1H-pyrrole-2-carbonitrile Formula: C18H16IN5 MolecularWeight: 429.25761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=C(NC(=C3C)C#N)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=CC(=N2)C3=C(NC(=C3C)C#N)C)I

InChI

InChI=1S/C18H16IN5/c1-10-4-5-13(8-14(10)19)23-18-21-7-6-15(24-18)17-11(2)16(9-20)22-12(17)3/h4-8,22H,1-3H3,(H,21,23,24)