N-(3,5-dimethyl-1-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine

Systemtic Name: N-(3,5-dimethyl-1-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine Openeye Name: N-(3,5-dimethyl-1-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine CAS Name: N-(3,5-dimethyl-1-adamantyl)-2-(4-methyl-1-piperazinyl)-4-quinazolinamine IUPAC Name: N-(3,5-dimethyl-1-adamantyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine Traditional Name: (3,5-dimethyl-1-adamantyl)-[2-(4-methylpiperazino)quinazolin-4-yl]amine Formula: C25H35N5 MolecularWeight: 405.5789

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NC4=NC(=NC5=CC=CC=C54)N6CCN(CC6)C)C

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)NC4=NC(=NC5=CC=CC=C54)N6CCN(CC6)C)C

InChI

InChI=1S/C25H35N5/c1-23-12-18-13-24(2,15-23)17-25(14-18,16-23)28-21-19-6-4-5-7-20(19)26-22(27-21)30-10-8-29(3)9-11-30/h4-7,18H,8-17H2,1-3H3,(H,26,27,28)