6-[1-[(3-tert-butylphenyl)amino]-6-methyl-isoquinolin-5-yl]-N-methyl-quinazolin-2-amine

Systemtic Name: 6-[1-[(3-tert-butylphenyl)amino]-6-methyl-isoquinolin-5-yl]-N-methyl-quinazolin-2-amine Openeye Name: 6-[1-(3-tert-butylanilino)-6-methyl-5-isoquinolyl]-N-methyl-quinazolin-2-amine CAS Name: 6-[1-(3-tert-butylanilino)-6-methyl-5-isoquinolinyl]-N-methyl-2-quinazolinamine IUPAC Name: 6-[1-(3-tert-butylanilino)-6-methylisoquinolin-5-yl]-N-methylquinazolin-2-amine Traditional Name: [6-[1-(3-tert-butylanilino)-6-methyl-5-isoquinolyl]quinazolin-2-yl]-methyl-amine Formula: C29H29N5 MolecularWeight: 447.57406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C(C)(C)C)C4=CC5=CN=C(N=C5C=C4)NC

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=CC(=C3)C(C)(C)C)C4=CC5=CN=C(N=C5C=C4)NC

InChI

InChI=1S/C29H29N5/c1-18-9-11-24-23(26(18)19-10-12-25-20(15-19)17-32-28(30-5)34-25)13-14-31-27(24)33-22-8-6-7-21(16-22)29(2,3)4/h6-17H,1-5H3,(H,31,33)(H,30,32,34)