2-(2-azanylhexylamino)-4-[(3-methylphenyl)amino]-6-phenylmethoxy-pyrimidine-5-carboxamide

Systemtic Name: 2-(2-azanylhexylamino)-4-[(3-methylphenyl)amino]-6-phenylmethoxy-pyrimidine-5-carboxamide Openeye Name: 2-(2-aminohexylamino)-4-benzyloxy-6-(3-methylanilino)pyrimidine-5-carboxamide CAS Name: 2-(2-aminohexylamino)-4-(3-methylanilino)-6-phenylmethoxy-5-pyrimidinecarboxamide IUPAC Name: 2-(2-aminohexylamino)-4-(3-methylanilino)-6-phenylmethoxypyrimidine-5-carboxamide Traditional Name: 2-(2-aminohexylamino)-4-benzoxy-6-(m-toluidino)pyrimidine-5-carboxamide Formula: C25H32N6O2 MolecularWeight: 448.56058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CNC1=NC(=C(C(=N1)OCC2=CC=CC=C2)C(=O)N)NC3=CC=CC(=C3)C)N

Isomeric SMILES

CCCCC(CNC1=NC(=C(C(=N1)OCC2=CC=CC=C2)C(=O)N)NC3=CC=CC(=C3)C)N

InChI

InChI=1S/C25H32N6O2/c1-3-4-12-19(26)15-28-25-30-23(29-20-13-8-9-17(2)14-20)21(22(27)32)24(31-25)33-16-18-10-6-5-7-11-18/h5-11,13-14,19H,3-4,12,15-16,26H2,1-2H3,(H2,27,32)(H2,28,29,30,31)