2-[2,4-bis(azanyl)-5-methoxy-phenyl]sulfanylbutanamide hydrate

Systemtic Name: 2-[2,4-bis(azanyl)-5-methoxy-phenyl]sulfanylbutanamide hydrate Openeye Name: 2-(2,4-diamino-5-methoxy-phenyl)sulfanylbutanamide hydrate CAS Name: 2-[(2,4-diamino-5-methoxyphenyl)thio]butanamide hydrate IUPAC Name: 2-(2,4-diamino-5-methoxyphenyl)sulfanylbutanamide hydrate Traditional Name: 2-[(2,4-diamino-5-methoxy-phenyl)thio]butyramide hydrate Formula: C11H19N3O3S MolecularWeight: 273.35186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)SC1=C(C=C(C(=C1)OC)N)N.O

Isomeric SMILES

CCC(C(=O)N)SC1=C(C=C(C(=C1)OC)N)N.O

InChI

InChI=1S/C11H17N3O2S.H2O/c1-3-9(11(14)15)17-10-5-8(16-2)6(12)4-7(10)13;/h4-5,9H,3,12-13H2,1-2H3,(H2,14,15);1H2