5-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(p-tolyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-methylphenyl)-3-[[4-(1-pyrazolyl)phenyl]methyl]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-(4-methylphenyl)-3-[(4-pyrazol-1-ylphenyl)methyl]thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(p-tolyl)-3-(4-pyrazol-1-ylbenzyl)thieno[2,3-d]pyrimidin-4-one Formula: C23H18N4OS MolecularWeight: 398.48022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C23H18N4OS/c1-16-3-7-18(8-4-16)20-14-29-22-21(20)23(28)26(15-24-22)13-17-5-9-19(10-6-17)27-12-2-11-25-27/h2-12,14-15H,13H2,1H3