N-[3-[6-azanyl-5-(1,3-benzothiazol-2-yl)-2-phenyl-pyrimidin-4-yl]propyl]ethanamide

Systemtic Name: N-[3-[6-azanyl-5-(1,3-benzothiazol-2-yl)-2-phenyl-pyrimidin-4-yl]propyl]ethanamide Openeye Name: N-[3-[6-amino-5-(1,3-benzothiazol-2-yl)-2-phenyl-pyrimidin-4-yl]propyl]acetamide CAS Name: N-[3-[6-amino-5-(1,3-benzothiazol-2-yl)-2-phenyl-4-pyrimidinyl]propyl]acetamide IUPAC Name: N-[3-[6-amino-5-(1,3-benzothiazol-2-yl)-2-phenylpyrimidin-4-yl]propyl]acetamide Traditional Name: N-[3-[6-amino-5-(1,3-benzothiazol-2-yl)-2-phenyl-pyrimidin-4-yl]propyl]acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC1=C(C(=NC(=N1)C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)NCCCC1=C(C(=NC(=N1)C2=CC=CC=C2)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N5OS/c1-14(28)24-13-7-11-17-19(22-26-16-10-5-6-12-18(16)29-22)20(23)27-21(25-17)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13H2,1H3,(H,24,28)(H2,23,25,27)