methyl 2-[3-[[2-azanyl-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-4-oxidanyl-phenyl]ethanoate

Systemtic Name: methyl 2-[3-[[2-azanyl-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-4-oxidanyl-phenyl]ethanoate Openeye Name: methyl 2-[3-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-4-hydroxy-phenyl]acetate CAS Name: 2-[3-[[2-amino-4-methyl-6-(pentylamino)-5-pyrimidinyl]methyl]-4-hydroxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[[2-amino-4-methyl-6-(pentylamino)pyrimidin-5-yl]methyl]-4-hydroxyphenyl]acetate Traditional Name: 2-[3-[[2-amino-4-(amylamino)-6-methyl-pyrimidin-5-yl]methyl]-4-hydroxy-phenyl]acetic acid methyl ester Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC(=NC(=C1CC2=C(C=CC(=C2)CC(=O)OC)O)C)N

Isomeric SMILES

CCCCCNC1=NC(=NC(=C1CC2=C(C=CC(=C2)CC(=O)OC)O)C)N

InChI

InChI=1S/C20H28N4O3/c1-4-5-6-9-22-19-16(13(2)23-20(21)24-19)12-15-10-14(7-8-17(15)25)11-18(26)27-3/h7-8,10,25H,4-6,9,11-12H2,1-3H3,(H3,21,22,23,24)