methyl 4-[4-[4,6-bis(azanyl)-2-methyl-pyrimidin-5-yl]-5,5-dimethoxy-pentyl]benzoate

Systemtic Name: methyl 4-[4-[4,6-bis(azanyl)-2-methyl-pyrimidin-5-yl]-5,5-dimethoxy-pentyl]benzoate Openeye Name: methyl 4-[4-(4,6-diamino-2-methyl-pyrimidin-5-yl)-5,5-dimethoxy-pentyl]benzoate CAS Name: 4-[4-(4,6-diamino-2-methyl-5-pyrimidinyl)-5,5-dimethoxypentyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4,6-diamino-2-methylpyrimidin-5-yl)-5,5-dimethoxypentyl]benzoate Traditional Name: 4-[4-(4,6-diamino-2-methyl-pyrimidin-5-yl)-5,5-dimethoxy-pentyl]benzoic acid methyl ester Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N)C(CCCC2=CC=C(C=C2)C(=O)OC)C(OC)OC)N

Isomeric SMILES

CC1=NC(=C(C(=N1)N)C(CCCC2=CC=C(C=C2)C(=O)OC)C(OC)OC)N

InChI

InChI=1S/C20H28N4O4/c1-12-23-17(21)16(18(22)24-12)15(20(27-3)28-4)7-5-6-13-8-10-14(11-9-13)19(25)26-2/h8-11,15,20H,5-7H2,1-4H3,(H4,21,22,23,24)