3-[[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one

Systemtic Name: 3-[[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one Openeye Name: 2-[(4-methylpiperazin-1-yl)methyl]-3-[[4-(4-sec-butylphenyl)thiazol-2-yl]methyl]quinazolin-4-one CAS Name: 3-[[4-(4-butan-2-ylphenyl)-2-thiazolyl]methyl]-2-[(4-methyl-1-piperazinyl)methyl]-4-quinazolinone IUPAC Name: 3-[[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]methyl]-2-[(4-methylpiperazin-1-yl)methyl]quinazolin-4-one Traditional Name: 2-[(4-methylpiperazino)methyl]-3-[[4-(4-sec-butylphenyl)thiazol-2-yl]methyl]quinazolin-4-one Formula: C28H33N5OS MolecularWeight: 487.65952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C2=CSC(=N2)CN3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C

InChI

InChI=1S/C28H33N5OS/c1-4-20(2)21-9-11-22(12-10-21)25-19-35-27(30-25)18-33-26(17-32-15-13-31(3)14-16-32)29-24-8-6-5-7-23(24)28(33)34/h5-12,19-20H,4,13-18H2,1-3H3