4-pyrrol-1-yl-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide

Systemtic Name: 4-pyrrol-1-yl-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide Openeye Name: 4-pyrrol-1-yl-N-[3-[(4-thiazol-2-ylpyrimidin-2-yl)amino]phenyl]butanamide CAS Name: 4-(1-pyrrolyl)-N-[3-[[4-(2-thiazolyl)-2-pyrimidinyl]amino]phenyl]butanamide IUPAC Name: 4-pyrrol-1-yl-N-[3-[[4-(1,3-thiazol-2-yl)pyrimidin-2-yl]amino]phenyl]butanamide Traditional Name: 4-pyrrol-1-yl-N-[3-[(4-thiazol-2-ylpyrimidin-2-yl)amino]phenyl]butyramide Formula: C21H20N6OS MolecularWeight: 404.4881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)CCCC(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=NC=CS4

Isomeric SMILES

C1=CN(C=C1)CCCC(=O)NC2=CC=CC(=C2)NC3=NC=CC(=N3)C4=NC=CS4

InChI

InChI=1S/C21H20N6OS/c28-19(7-4-13-27-11-1-2-12-27)24-16-5-3-6-17(15-16)25-21-23-9-8-18(26-21)20-22-10-14-29-20/h1-3,5-6,8-12,14-15H,4,7,13H2,(H,24,28)(H,23,25,26)