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

Systemtic Name: 5-[(4-ethylphenyl)methyl]-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(4-ethylphenyl)methyl]-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-ethylphenyl)methyl]-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(4-ethylphenyl)methyl]-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(4-ethylbenzyl)-2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-6-methyl-1H-pyrimidin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)NC3=NC4=C(S3)C=C(C=C4)OC)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=C(NC(=NC2=O)NC3=NC4=C(S3)C=C(C=C4)OC)C

InChI

InChI=1S/C22H22N4O2S/c1-4-14-5-7-15(8-6-14)11-17-13(2)23-21(25-20(17)27)26-22-24-18-10-9-16(28-3)12-19(18)29-22/h5-10,12H,4,11H2,1-3H3,(H2,23,24,25,26,27)