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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H14N6OS2 MolecularWeight: 346.43056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H14N6OS2/c15-10-7-11(16)19-13(18-10)22-6-5-12(21)20-14-17-8-3-1-2-4-9(8)23-14/h1-4,7H,5-6H2,(H,17,20,21)(H4,15,16,18,19)