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

Systemtic Name: 6,7-dimethoxy-2-[4-(phenylmethyl)piperazin-1-yl]quinazolin-4-amine Openeye Name: 2-(4-benzylpiperazin-1-yl)-6,7-dimethoxy-quinazolin-4-amine CAS Name: 6,7-dimethoxy-2-[4-(phenylmethyl)-1-piperazinyl]-4-quinazolinamine IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine Traditional Name: [2-(4-benzylpiperazino)-6,7-dimethoxy-quinazolin-4-yl]amine Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O2/c1-27-18-12-16-17(13-19(18)28-2)23-21(24-20(16)22)26-10-8-25(9-11-26)14-15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H2,22,23,24)