N-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-4-methyl-2-(4-methylpiperazino)pyrimidine-5-carboxamide Formula: C18H22FN5O MolecularWeight: 343.398583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2C)N3CCN(CC3)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CN=C(N=C2C)N3CCN(CC3)C)F

InChI

InChI=1S/C18H22FN5O/c1-12-4-5-14(10-16(12)19)22-17(25)15-11-20-18(21-13(15)2)24-8-6-23(3)7-9-24/h4-5,10-11H,6-9H2,1-3H3,(H,22,25)