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

Systemtic Name: 3-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: 3-[(4,6-diamino-2-pyrimidinyl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: 3-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: 3-[(4,6-diaminopyrimidin-2-yl)thio]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=O)CCSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C15H17N5O3S/c16-12-8-13(17)20-15(19-12)24-6-3-14(21)18-9-1-2-10-11(7-9)23-5-4-22-10/h1-2,7-8H,3-6H2,(H,18,21)(H4,16,17,19,20)