N-(4-acetamido-2,5-diethoxy-phenyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-acetamido-2,5-diethoxy-phenyl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-acetamido-2,5-diethoxy-phenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(4-acetamido-2,5-diethoxyphenyl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-acetamido-2,5-diethoxyphenyl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetamido-2,5-diethoxy-phenyl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C18H24N6O4S MolecularWeight: 420.48596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1NC(=O)C)OCC)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCOC1=CC(=C(C=C1NC(=O)C)OCC)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C18H24N6O4S/c1-4-27-13-7-12(14(28-5-2)6-11(13)21-10(3)25)22-17(26)9-29-18-23-15(19)8-16(20)24-18/h6-8H,4-5,9H2,1-3H3,(H,21,25)(H,22,26)(H4,19,20,23,24)