N6-[2-azanyl-6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]-2-methyl-quinoline-4,6-diamine

Systemtic Name: N6-[2-azanyl-6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]-2-methyl-quinoline-4,6-diamine Openeye Name: N6-[2-amino-6-(4-benzyloxyphenyl)pyrimidin-4-yl]-2-methyl-quinoline-4,6-diamine CAS Name: N6-[2-amino-6-(4-phenylmethoxyphenyl)-4-pyrimidinyl]-2-methylquinoline-4,6-diamine IUPAC Name: 6-N-[2-amino-6-(4-phenylmethoxyphenyl)pyrimidin-4-yl]-2-methylquinoline-4,6-diamine Traditional Name: [2-amino-6-(4-benzoxyphenyl)pyrimidin-4-yl]-(4-amino-2-methyl-6-quinolyl)amine Formula: C27H24N6O MolecularWeight: 448.51906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)NC3=NC(=NC(=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)N)C(=C1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)NC3=NC(=NC(=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)N)C(=C1)N

InChI

InChI=1S/C27H24N6O/c1-17-13-23(28)22-14-20(9-12-24(22)30-17)31-26-15-25(32-27(29)33-26)19-7-10-21(11-8-19)34-16-18-5-3-2-4-6-18/h2-15H,16H2,1H3,(H2,28,30)(H3,29,31,32,33)