3-phenyl-N1-[5-(3-propan-2-ylphenyl)-4-pyridin-4-yl-pyrimidin-2-yl]propane-1,2-diamine

Systemtic Name: 3-phenyl-N1-[5-(3-propan-2-ylphenyl)-4-pyridin-4-yl-pyrimidin-2-yl]propane-1,2-diamine Openeye Name: N1-[5-(3-isopropylphenyl)-4-(4-pyridyl)pyrimidin-2-yl]-3-phenyl-propane-1,2-diamine CAS Name: 3-phenyl-N1-[5-(3-propan-2-ylphenyl)-4-pyridin-4-yl-2-pyrimidinyl]propane-1,2-diamine IUPAC Name: 3-phenyl-1-N-[5-(3-propan-2-ylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine Traditional Name: (2-amino-3-phenyl-propyl)-[5-m-cumenyl-4-(4-pyridyl)pyrimidin-2-yl]amine Formula: C27H29N5 MolecularWeight: 423.55266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1)C2=CN=C(N=C2C3=CC=NC=C3)NCC(CC4=CC=CC=C4)N

Isomeric SMILES

CC(C)C1=CC=CC(=C1)C2=CN=C(N=C2C3=CC=NC=C3)NCC(CC4=CC=CC=C4)N

InChI

InChI=1S/C27H29N5/c1-19(2)22-9-6-10-23(16-22)25-18-31-27(32-26(25)21-11-13-29-14-12-21)30-17-24(28)15-20-7-4-3-5-8-20/h3-14,16,18-19,24H,15,17,28H2,1-2H3,(H,30,31,32)