3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)benzamide

Systemtic Name: 3-[[6-[(3-methylphenyl)amino]pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)benzamide Openeye Name: 3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-N-(2-thienylmethyl)benzamide CAS Name: 3-[[6-(3-methylanilino)-4-pyrimidinyl]amino]-N-(thiophen-2-ylmethyl)benzamide IUPAC Name: 3-[[6-(3-methylanilino)pyrimidin-4-yl]amino]-N-(thiophen-2-ylmethyl)benzamide Traditional Name: 3-[[6-(m-toluidino)pyrimidin-4-yl]amino]-N-(2-thenyl)benzamide Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCC4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC(=C2)NC3=CC=CC(=C3)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C23H21N5OS/c1-16-5-2-7-18(11-16)27-21-13-22(26-15-25-21)28-19-8-3-6-17(12-19)23(29)24-14-20-9-4-10-30-20/h2-13,15H,14H2,1H3,(H,24,29)(H2,25,26,27,28)