6,7-dimethoxy-2-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-2-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 6,7-dimethoxy-2-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-2-[[(5-methyl-2-thiophenyl)methyl-phenethylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 6,7-dimethoxy-2-[[(5-methylthiophen-2-yl)methyl-phenethylamino]methyl]-1H-quinazolin-4-one Traditional Name: 6,7-dimethoxy-2-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-1H-quinazolin-4-one Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C25H27N3O3S/c1-17-9-10-19(32-17)15-28(12-11-18-7-5-4-6-8-18)16-24-26-21-14-23(31-3)22(30-2)13-20(21)25(29)27-24/h4-10,13-14H,11-12,15-16H2,1-3H3,(H,26,27,29)