3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C16H18N6O2S2 MolecularWeight: 390.48312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C16H18N6O2S2/c1-2-24-9-3-4-10-11(7-9)26-16(19-10)22-14(23)5-6-25-15-20-12(17)8-13(18)21-15/h3-4,7-8H,2,5-6H2,1H3,(H,19,22,23)(H4,17,18,20,21)