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

Systemtic Name: methyl 4-[4-[4,6-bis(azanyl)pyrimidin-5-yl]-5,5-dimethoxy-pentyl]benzoate Openeye Name: methyl 4-[4-(4,6-diaminopyrimidin-5-yl)-5,5-dimethoxy-pentyl]benzoate CAS Name: 4-[4-(4,6-diamino-5-pyrimidinyl)-5,5-dimethoxypentyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4,6-diaminopyrimidin-5-yl)-5,5-dimethoxypentyl]benzoate Traditional Name: 4-[4-(4,6-diaminopyrimidin-5-yl)-5,5-dimethoxy-pentyl]benzoic acid methyl ester Formula: C19H26N4O4 MolecularWeight: 374.43414

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(CCCC1=CC=C(C=C1)C(=O)OC)C2=C(N=CN=C2N)N)OC

Isomeric SMILES

COC(C(CCCC1=CC=C(C=C1)C(=O)OC)C2=C(N=CN=C2N)N)OC

InChI

InChI=1S/C19H26N4O4/c1-25-18(24)13-9-7-12(8-10-13)5-4-6-14(19(26-2)27-3)15-16(20)22-11-23-17(15)21/h7-11,14,19H,4-6H2,1-3H3,(H4,20,21,22,23)