methyl 4-[3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]oxypropoxy]-3-cyclohexyl-benzoate

Systemtic Name: methyl 4-[3-[2,4-bis(azanyl)-6-methyl-pyrimidin-5-yl]oxypropoxy]-3-cyclohexyl-benzoate Openeye Name: methyl 3-cyclohexyl-4-[3-(2,4-diamino-6-methyl-pyrimidin-5-yl)oxypropoxy]benzoate CAS Name: 3-cyclohexyl-4-[3-[(2,4-diamino-6-methyl-5-pyrimidinyl)oxy]propoxy]benzoic acid methyl ester IUPAC Name: methyl 3-cyclohexyl-4-[3-(2,4-diamino-6-methylpyrimidin-5-yl)oxypropoxy]benzoate Traditional Name: 3-cyclohexyl-4-[3-(2,4-diamino-6-methyl-pyrimidin-5-yl)oxypropoxy]benzoic acid methyl ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)C(=O)OC)C3CCCCC3

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)OCCCOC2=C(C=C(C=C2)C(=O)OC)C3CCCCC3

InChI

InChI=1S/C22H30N4O4/c1-14-19(20(23)26-22(24)25-14)30-12-6-11-29-18-10-9-16(21(27)28-2)13-17(18)15-7-4-3-5-8-15/h9-10,13,15H,3-8,11-12H2,1-2H3,(H4,23,24,25,26)