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

Systemtic Name: ethyl 4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(4,6-diaminopyrimidin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[(4,6-diaminopyrimidin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H21N5O3S/c1-3-12(26-17-21-13(18)9-14(19)22-17)15(23)20-11-7-5-10(6-8-11)16(24)25-4-2/h5-9,12H,3-4H2,1-2H3,(H,20,23)(H4,18,19,21,22)