2-chloranyl-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]quinazolin-4-amine

Systemtic Name: 2-chloranyl-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]quinazolin-4-amine Openeye Name: 2-chloro-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]quinazolin-4-amine CAS Name: 2-chloro-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-4-quinazolinamine IUPAC Name: 2-chloro-N-[(3S,5R)-3,5-dimethyl-1-adamantyl]quinazolin-4-amine Traditional Name: (2-chloroquinazolin-4-yl)-[(3S,5R)-3,5-dimethyl-1-adamantyl]amine Formula: C20H24ClN3 MolecularWeight: 341.87766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NC4=NC(=NC5=CC=CC=C54)Cl)C

InChI

InChI=1S/C20H24ClN3/c1-18-7-13-8-19(2,10-18)12-20(9-13,11-18)24-16-14-5-3-4-6-15(14)22-17(21)23-16/h3-6,13H,7-12H2,1-2H3,(H,22,23,24)/t13?,18-,19+,20?