5-chloranyl-N-[2-[4-(2-ethoxyethyl)-2,3-dimethyl-phenoxy]ethyl]-6-ethyl-pyrimidin-4-amine

Systemtic Name: 5-chloranyl-N-[2-[4-(2-ethoxyethyl)-2,3-dimethyl-phenoxy]ethyl]-6-ethyl-pyrimidin-4-amine Openeye Name: 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethyl-phenoxy]ethyl]-6-ethyl-pyrimidin-4-amine CAS Name: 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethyl-4-pyrimidinamine IUPAC Name: 5-chloro-N-[2-[4-(2-ethoxyethyl)-2,3-dimethylphenoxy]ethyl]-6-ethylpyrimidin-4-amine Traditional Name: (5-chloro-6-ethyl-pyrimidin-4-yl)-[2-[4-(2-ethoxyethyl)-2,3-dimethyl-phenoxy]ethyl]amine Formula: C40H56Cl2N6O4 MolecularWeight: 755.81644

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl.CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl

Isomeric SMILES

CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl.CCC1=C(C(=NC=N1)NCCOC2=C(C(=C(C=C2)CCOCC)C)C)Cl

InChI

InChI=1S/2C20H28ClN3O2/c2*1-5-17-19(21)20(24-13-23-17)22-10-12-26-18-8-7-16(9-11-25-6-2)14(3)15(18)4/h2*7-8,13H,5-6,9-12H2,1-4H3,(H,22,23,24)