butyl 4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(4,6-diamino-2-pyrimidinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(4,6-diaminopyrimidin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,6-diaminopyrimidin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C17H21N5O3S/c1-2-3-8-25-16(24)11-4-6-12(7-5-11)20-15(23)10-26-17-21-13(18)9-14(19)22-17/h4-7,9H,2-3,8,10H2,1H3,(H,20,23)(H4,18,19,21,22)