N-(1,3-benzodioxol-5-yl)-3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-3-(4,6-diaminopyrimidin-2-yl)sulfanyl-propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-3-[(4,6-diamino-2-pyrimidinyl)thio]propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-[(4,6-diaminopyrimidin-2-yl)thio]propionamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H15N5O3S/c15-11-6-12(16)19-14(18-11)23-4-3-13(20)17-8-1-2-9-10(5-8)22-7-21-9/h1-2,5-6H,3-4,7H2,(H,17,20)(H4,15,16,18,19)