3-[[3-(aminomethyl)phenyl]methyl]-2-(2,4-dimethoxyphenyl)-6-methyl-5-thiophen-2-yl-quinazolin-4-one

Systemtic Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(2,4-dimethoxyphenyl)-6-methyl-5-thiophen-2-yl-quinazolin-4-one Openeye Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(2,4-dimethoxyphenyl)-6-methyl-5-(2-thienyl)quinazolin-4-one CAS Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(2,4-dimethoxyphenyl)-6-methyl-5-thiophen-2-yl-4-quinazolinone IUPAC Name: 3-[[3-(aminomethyl)phenyl]methyl]-2-(2,4-dimethoxyphenyl)-6-methyl-5-thiophen-2-ylquinazolin-4-one Traditional Name: 3-[3-(aminomethyl)benzyl]-2-(2,4-dimethoxyphenyl)-6-methyl-5-(2-thienyl)quinazolin-4-one Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(N(C2=O)CC3=CC(=CC=C3)CN)C4=C(C=C(C=C4)OC)OC)C5=CC=CS5

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(N(C2=O)CC3=CC(=CC=C3)CN)C4=C(C=C(C=C4)OC)OC)C5=CC=CS5

InChI

InChI=1S/C29H27N3O3S/c1-18-9-12-23-27(26(18)25-8-5-13-36-25)29(33)32(17-20-7-4-6-19(14-20)16-30)28(31-23)22-11-10-21(34-2)15-24(22)35-3/h4-15H,16-17,30H2,1-3H3