6,7-dimethoxy-2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]quinazolin-4-amine

Systemtic Name: 6,7-dimethoxy-2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]quinazolin-4-amine Openeye Name: 2-[4-[(3-benzyloxyphenyl)methyl]piperazin-1-yl]-6,7-dimethoxy-quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-[4-[(3-phenylmethoxyphenyl)methyl]-1-piperazinyl]-4-quinazolinamine IUPAC Name: 6,7-dimethoxy-2-[4-[(3-phenylmethoxyphenyl)methyl]piperazin-1-yl]quinazolin-4-amine Traditional Name: [2-[4-(3-benzoxybenzyl)piperazino]-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C28H31N5O3 MolecularWeight: 485.57744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CC4=CC(=CC=C4)OCC5=CC=CC=C5)N)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CC4=CC(=CC=C4)OCC5=CC=CC=C5)N)OC

InChI

InChI=1S/C28H31N5O3/c1-34-25-16-23-24(17-26(25)35-2)30-28(31-27(23)29)33-13-11-32(12-14-33)18-21-9-6-10-22(15-21)36-19-20-7-4-3-5-8-20/h3-10,15-17H,11-14,18-19H2,1-2H3,(H2,29,30,31)