N-[(3-aminooxetan-3-yl)methyl]-6-methyl-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)thieno[3,2-d]pyrimidin-4-amine

HCID 71548784
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Basic information

Standard SMILES
Cc1cc2nc(N3CCS(=O)c4ccccc4C3)nc(NCC3(N)COC3)c2s1
InChIKey
NYNUGIMLIBGMCA-UHFFFAOYSA-N
Molecular formula
C20H23N5O2S2
Average molar mass
429.6 g/mol

Names & identifiers

Preferred name
N-[(3-aminooxetan-3-yl)methyl]-6-methyl-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)thieno[3,2-d]pyrimidin-4-amine
IUPAC
N-[(3-aminooxetan-3-yl)methyl]-6-methyl-2-(1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)thieno[3,2-d]pyrimidin-4-amine

Names & synonyms

SCHEMBL14840756NYNUGIMLIBGMCA-UHFFFAOYSA-NN-[(3-aminooxetan-3-yl)methyl]-6-methyl-2-(1-oxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)thieno[3,2-d]pyrimidin-4-amine

Database identifiers

PubChem CID
71548784

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
141 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
4
Heavy atoms
29

Related reactions

2 records
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Compound notes

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