2-(1,3-benzothiazol-2-ylamino)-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-(1,3-benzothiazol-2-ylamino)-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-5-[(4-ethylphenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-5-(4-ethylbenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)NC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)NC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C21H20N4OS/c1-3-14-8-10-15(11-9-14)12-16-13(2)22-20(24-19(16)26)25-21-23-17-6-4-5-7-18(17)27-21/h4-11H,3,12H2,1-2H3,(H2,22,23,24,25,26)