N-[2-[2,4-bis(azanyl)-5-methoxy-phenyl]sulfanylethyl]ethanamide hydrate

Systemtic Name: N-[2-[2,4-bis(azanyl)-5-methoxy-phenyl]sulfanylethyl]ethanamide hydrate Openeye Name: N-[2-(2,4-diamino-5-methoxy-phenyl)sulfanylethyl]acetamide hydrate CAS Name: N-[2-[(2,4-diamino-5-methoxyphenyl)thio]ethyl]acetamide hydrate IUPAC Name: N-[2-(2,4-diamino-5-methoxyphenyl)sulfanylethyl]acetamide hydrate Traditional Name: N-[2-[(2,4-diamino-5-methoxy-phenyl)thio]ethyl]acetamide hydrate Formula: C11H19N3O3S MolecularWeight: 273.35186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSC1=C(C=C(C(=C1)OC)N)N.O

Isomeric SMILES

CC(=O)NCCSC1=C(C=C(C(=C1)OC)N)N.O

InChI

InChI=1S/C11H17N3O2S.H2O/c1-7(15)14-3-4-17-11-6-10(16-2)8(12)5-9(11)13;/h5-6H,3-4,12-13H2,1-2H3,(H,14,15);1H2