ethyl 4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(4,6-diaminopyrimidin-2-yl)thio]propanoylamino]benzoic acid ethyl ester Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C16H19N5O3S/c1-3-24-15(23)10-4-6-11(7-5-10)19-14(22)9(2)25-16-20-12(17)8-13(18)21-16/h4-9H,3H2,1-2H3,(H,19,22)(H4,17,18,20,21)