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

Systemtic Name: methyl 4-[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]phenyl]methyl]benzoate Openeye Name: methyl 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)phenyl]methyl]benzoate CAS Name: 4-[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)phenyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)phenyl]methyl]benzoate Traditional Name: 4-[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)benzyl]benzoic acid methyl ester Formula: C21H22N4O2 MolecularWeight: 362.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H22N4O2/c1-3-17-18(19(22)25-21(23)24-17)15-8-4-13(5-9-15)12-14-6-10-16(11-7-14)20(26)27-2/h4-11H,3,12H2,1-2H3,(H4,22,23,24,25)